SCHEMBL5612923

SCHEMBL5612923

CCOc1ccc(Cl)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
THRA P10827 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
EPHB4 P54760 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
IGF1R P08069 1/20 0.38
POLB P06746 2/20 0.37
SYK P43405 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
PTGER3 P43115 1/20 0.37

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
SCHEMBL5592585 0.92 MEN1 (0.47) KMT2AMEN1LMNAEPHB4MAPT
SCHEMBL166253 0.90 EPHB4 (0.42) THRBTHRAKMT2AMEN1LMNA
SCHEMBL12029094 0.87 THRA (0.41) THRBTHRAEPHB4TP53SYK
SCHEMBL165575 0.84 EPHB4 (0.46) KMT2AMEN1ALDH1A1LMNAEPHB4
SCHEMBL5592945 0.84 MAPT (0.50) KMT2AMEN1LMNAEPHB4MAPT
Hydrochloric Acid SCHEMBL168314 0.84 EPHB4 (0.45) KMT2AMEN1ALDH1A1LMNAEPHB4
SCHEMBL5959796 0.83 MEN1 (0.50) KMT2AMEN1LMNAEPHB4MAPT
SCHEMBL165500 0.83 EPHB4 (0.41) KMT2AMEN1LMNAEPHB4MAPT
SCHEMBL5593101 0.83 MAPT (0.43) THRBTHRAKMT2AMEN1ALDH1A1
Ji-101 SCHEMBL5585996 0.82 EPHB4 (0.46) THRBTHRAKMT2AMEN1ALDH1A1

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-1858879-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI Pharmaceuticals, Inc. (US) 2007-11-28 EP disclosed
WO-2006076593-A1 1,3-DIARYL SUBSTITUTED UREAS AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed