SCHEMBL6171997

SCHEMBL6171997

CC1(Cc2ccncc2C(=O)Oc2ccccc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.41
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.33
AR P10275 3/20 0.33
RXFP1 Q9HBX9 3/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
EPHX2 P34913 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6173349 0.88 ALDH1A1 (0.39) ALDH1A1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6174655 0.88 IGF1R (0.39) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6173336 0.85 IGF1R (0.40) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6171133 0.84 IGF1R (0.40) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6170249 0.83 IGF1R (0.40) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6172896 0.83 IGF1R (0.39) IGF1RALDH1A1LMNAMAPTTP53
SCHEMBL2939132 0.82 IGF1R (0.61) IGF1RNAMPT
Trifluoroacetic Acid SCHEMBL17558372 0.82 IGF1R (0.41) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6175293 0.82 IGF1R (0.45) IGF1RALDH1A1CYP3A4GAACYP2C9
Trifluoroacetic Acid SCHEMBL17558421 0.82 IGF1R (0.41) IGF1RALDH1A1CYP3A4GAACYP2C9

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