SCHEMBL6999034

SCHEMBL6999034

Cc1sc(NC(=O)Cc2c[nH]c3ccccc23)c(C(N)=O)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.68
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
IDO1 P14902 1/20 0.55
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 2/20 0.53
AIP O00170 1/20 0.51
SGTA O43765 1/20 0.51
TOMM70 O94826 1/20 0.51
STIP1 P31948 1/20 0.51
PPP5C P53041 1/20 0.51
FKBP4 Q02790 1/20 0.51

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
SCHEMBL31060214 0.81 MAPK8 (1.00) MAPK8ALDH1A1MAPTHTTPOLB
SCHEMBL13126363 0.81 MAPK8 (1.00) MAPK8ALDH1A1MAPTHTTPOLB
SCHEMBL7003871 0.77 NPSR1 (0.48) MAPK8ALDH1A1MAPTPKMHTT
SCHEMBL7670751 0.77 MAPK8 (0.67) MAPK8ALDH1A1MAPTHTTLMNA
SCHEMBL18229442 0.73 HRH3 (0.69) ALDH1A1MAPTPKMHTTCYP1A2
SCHEMBL18180597 0.73 L3MBTL1 (0.66) MAPK8ALDH1A1MAPTHTTLMNA
SCHEMBL7003930 0.72 MAPT (0.56) MAPK8ALDH1A1MAPTHTTIDO1
SCHEMBL13126361 0.72 MAPK8 (0.65) MAPK8ALDH1A1MAPTHTTCYP3A4
SCHEMBL5212020 0.72 ALDH1A1 (0.42) MAPK8ALDH1A1MAPTHTTPOLB
SCHEMBL13774681 0.72 MAPT (1.00) MAPK8ALDH1A1MAPTPKMHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed