SCHEMBL6173078

SCHEMBL6173078

CC(c1ccnc(NC(=O)Nc2ccccc2)c1)C1(C(C)c2ccnc(NC(=O)Nc3ccccc3)c2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.45
MAPK1 P28482 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GBA1 P04062 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE2A O00408 1/20 0.35
BRAF P15056 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
SCHEMBL6174011 0.89 IGF1R (0.56) IGF1R
SCHEMBL17558385 0.88 IGF1R (0.56) IGF1R
SCHEMBL6177118 0.88 IGF1R (0.49) IGF1RPDE2A
SCHEMBL6172324 0.88 IGF1R (0.47) IGF1R
SCHEMBL6172277 0.87 IGF1R (0.45) IGF1RMAPK1PDE2A
SCHEMBL6173825 0.87 MAPK1 (0.42) IGF1RMAPK1NPC1RAB9ATP53
SCHEMBL6174924 0.86 EPHX2 (0.39) IGF1RMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL6174504 0.85 IGF1R (0.48) IGF1RPDE2A
SCHEMBL6171207 0.85 IGF1R (0.44) IGF1RNPC1RAB9ASMN1; SMN2TP53
SCHEMBL17558370 0.85 IGF1R (0.58) IGF1RPDE2A

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed