SCHEMBL6173786

SCHEMBL6173786

COc1ccc2nccc(CC3(C)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.50
MAPT P10636 1/20 0.39
ROCK2 O75116 1/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRB P10828 1/20 0.37
AR P10275 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 3/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NCF1 P14598 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
SCHEMBL6250335 0.88 IGF1R (0.51) IGF1RCYP3A4CYP2C9CYP2C19AR
SCHEMBL6175292 0.87 IGF1R (0.65) IGF1RAR
SCHEMBL6171503 0.87 IGF1R (0.65) IGF1RAR
SCHEMBL6173279 0.86 IGF1R (0.50) IGF1RCYP3A4CYP2C9CYP2C19AR
SCHEMBL6172290 0.85 IGF1R (0.45) IGF1RROCK2MTNR1AMTNR1B
SCHEMBL6174186 0.84 IGF1R (0.51) IGF1RCYP3A4GAACYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL17558459 0.83 IGF1R (0.60) IGF1RARLMNA
Trifluoroacetic Acid SCHEMBL17558350 0.83 IGF1R (0.60) IGF1RARLMNA
SCHEMBL6176094 0.82 IGF1R (0.49) IGF1RMAPTCYP3A4GAACYP2C9
SCHEMBL6172546 0.82 IGF1R (0.49) IGF1RMAPTCYP3A4CYP2C9CYP2C19

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