SCHEMBL6173607

SCHEMBL6173607

COc1cccc2nccc(C(C)C3(C(C)c4ccnc5cccc(OC)c45)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
MAPT P10636 1/20 0.34
TRPV3 Q8NET8 4/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL6173625 0.89 IGF1R (0.44) IGF1RMAPTTRPV3ARTP53
SCHEMBL6173870 0.88 IGF1R (0.43) IGF1RMAPTTRPV3ARCYP2C9
SCHEMBL6172276 0.87 IGF1R (0.41) IGF1RMAPTTRPV3ARALDH1A1
SCHEMBL6172256 0.86 IGF1R (0.42) IGF1RMAPTTRPV3ARTP53
SCHEMBL6177488 0.86 IGF1R (0.42) IGF1RTRPV3ARTP53KMT2A
SCHEMBL6172116 0.84 IGF1R (0.40) IGF1RMAPTTRPV3ARKMT2A
SCHEMBL6174593 0.81 IGF1R (0.42) IGF1RMAPTARALDH1A1CYP3A4
SCHEMBL6176113 0.80 IGF1R (0.42) IGF1RTRPV3ARALDH1A1CYP3A4
SCHEMBL6171792 0.80 IGF1R (0.44) IGF1RTRPV3ARALDH1A1CYP3A4
SCHEMBL6169082 0.80 IGF1R (0.50) IGF1RMAPTTRPV3ARALDH1A1

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