SCHEMBL6174459

SCHEMBL6174459

COc1ccc(CCNC(=O)C(c2ccncc2)N2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA4 P22748 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 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
SCHEMBL6174453 0.80 IGF1R (0.40) IGF1RALDH1A1CA1CA2CA9
SCHEMBL2938437 0.73 IGF1R (0.47) IGF1RALDH1A1MAPTGAALMNA
SCHEMBL2940860 0.71 IGF1R (0.54) IGF1RALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2940492 0.69 IGF1R (0.42) IGF1RKMT2A
SCHEMBL2936880 0.69 IGF1R (0.53) IGF1RALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2938325 0.69 IGF1R (0.40) IGF1RALDH1A1CA1CA2CA9
SCHEMBL2940999 0.68 IGF1R (0.42) IGF1RHTTLMNA
SCHEMBL2939128 0.68 IGF1R (0.53) IGF1RALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2939674 0.67 IGF1R (0.64) IGF1RALDH1A1HTTLMNA
SCHEMBL2940692 0.67 IGF1R (0.64) IGF1RALDH1A1HTTLMNA

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