SCHEMBL6175741

SCHEMBL6175741

CNc1cc(C(C)C2(C(C)c3cc(NC)nc4ccccc34)NC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)c2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NTRK1 P04629 1/20 0.37
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
ACP1 P24666 1/20 0.36
BRD4 O60885 1/20 0.35
IGF1R P08069 2/20 0.35
GPR139 Q6DWJ6 2/20 0.35
CXCR3 P49682 2/20 0.34
MGLL Q99685 1/20 0.34
CASR P41180 2/20 0.34
LMNA P02545 1/20 0.34
OPRL1 P41146 1/20 0.34
PDE2A O00408 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HPD P32754 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6174312 0.89 POLB (0.40) POLBL3MBTL1NTRK1ACP1IGF1R
SCHEMBL6175476 0.88 IGF1R (0.43) POLBL3MBTL1NTRK1ACP1IGF1R
SCHEMBL6173653 0.88 BACE1 (0.38) POLBL3MBTL1NTRK1ACP1IGF1R
SCHEMBL6172147 0.88 POLB (0.37) POLBL3MBTL1NTRK1ACP1IGF1R
SCHEMBL6175470 0.87 ACP1 (0.41) POLBL3MBTL1NTRK1CTNNB1TCF7L2
SCHEMBL6177111 0.86 IGF1R (0.40) IGF1RLMNAPDE2A
SCHEMBL6172518 0.85 IGF1R (0.42) L3MBTL1IGF1RLMNAMAPK1
SCHEMBL6175541 0.84 MCHR1 (0.41) POLBL3MBTL1ACP1MGLLCASR
SCHEMBL6175751 0.83 AR (0.41) POLBL3MBTL1IGF1RGPR139CXCR3
SCHEMBL6172636 0.80 KDM4E (0.35) POLBL3MBTL1PDE2A

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