SCHEMBL6617672

SCHEMBL6617672

CC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3ccncc3)cc2O)cc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ AHR P35869 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6619006 0.95 CRACR2A (0.46) CRACR2AKDM4EPOLBMEN1KMT2A
SCHEMBL6621127 0.87 MEN1 (0.41) MEN1KMT2ALMNATP53MAPT
SCHEMBL6616031 0.86 RAB9A (0.40) KDM4EMEN1KMT2ALMNAACKR3
SCHEMBL6617757 0.86 CRACR2A (0.45) CRACR2AKDM4EPOLBMEN1KMT2A
SCHEMBL6619126 0.86 CRACR2A (0.48) CRACR2AKDM4EPOLBMEN1KMT2A
SCHEMBL6604618 0.85 RAB9A (0.40) CRACR2AKDM4EMEN1KMT2ALMNA
SCHEMBL6618565 0.85 ALDH1A1 (0.43) KDM4EPOLBLMNAALDH1A1MAPT
SCHEMBL6687699 0.84 KMT2A (0.48) KDM4EPOLBMEN1KMT2ALMNA
SCHEMBL6621026 0.84 CRACR2A (0.46) CRACR2AKDM4EPOLBMEN1KMT2A
SCHEMBL6605166 0.84 TYK2 (0.43) CRACR2AACKR3RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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