SCHEMBL4649779

SCHEMBL4649779

Cc1ccn(C)c(=O)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
BRD9 Q9H8M2 3/20 0.42
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM6A O15550 1/20 0.38
KDM4A O75164 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM5C P41229 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
DOHH Q9BU89 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37
POLB P06746 2/20 0.35
BRPF1 P55201 2/20 0.35
TAF1 P21675 1/20 0.35
CREBBP Q92793 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6679850 0.82 IDH1 (0.44) BRD4BRD9EGFRSRCPOLB
SCHEMBL27302249 0.82 KDM4E (0.39) BRD4BRD9KDM4ECYP2C9KDM6A
SCHEMBL18585162 0.81 PARP1 (0.34) BRD4BRD9EGFRSRCPOLB
SCHEMBL29868736 0.78 BRD4 (0.33) BRD4BRD9EGFRSRCPOLB
SCHEMBL31186077 0.77 KDM4E (0.44) BRD4KDM4ECYP2C9POLBLMNA
SCHEMBL29908842 0.75 NOTUM (0.46) KDM4EEGFRSRCLMNAALDH1A1
SCHEMBL1665468 0.75 BRD4 (0.38) BRD4BRD9KDM4ECYP2C9KDM6A
SCHEMBL31748394 0.74 KDM4E (0.55) BRD4BRD9KDM4ECYP2C9KDM6A
SCHEMBL19651995 0.74 SIRT3 (0.39) BRD4BRD9KDM4ECYP2C9KDM6A
Hydrochloric Acid SCHEMBL28139132 0.73 BRD4 (0.37) BRD4BRD9KDM4ECYP2C9KDM6A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
EP-1124903-B1 CATIONIC AZO-DYES BASF AG (DE) 2003-06-25 EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
US-6346609-B1 DISAZO DYES OR POLYAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
EP-1124903-A1 CATIONIC AZO-DYES BASF AKTIENGESELLSCHAFT (DE) 2001-08-22 EP disclosed
EP-0955342-B1 Cationic azo dyes derived from aminobenzoic acid BASF AG (DE) 2001-07-11 EP disclosed
EP-0352682-B1 Twice reactive dyes and benzyl compounds as their intermediary products BASF AG (DE) 1994-02-02 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5241055-A Use in cold pad-batch processing; fixing; fiber bonding; color- and washfastness; monoazo-, disazo-formazan, triphenyldioxazine and metal phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5231171-A Dyeing or printing substrates such as cellulose BASF AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5210187-A Cotton or wool, wet fastness BASF AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0492236-A1 Reactive dyes with alkenylsulphonyl or alkinylsulphonyl groups serving as anchor BASF Aktiengesellschaft (DE) 1992-07-01 EP disclosed
EP-0433821-A1 Reactive dyes having an anchor on basis of alkenylsulfonyl and benzyl compounds as their intermediates BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0352682-A2 Twice reactive dyes and benzyl compounds as their intermediary products BASF Aktiengesellschaft (DE) 1990-01-31 EP disclosed