SCHEMBL6174593

SCHEMBL6174593

COc1ccc2nccc(C(C)C3(C(C)c4ccnc5ccc(OC)cc45)NC(=O)N(c4ccc(S(=O)(=O)C(F)(F)F)cc4)C3=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
MAPT P10636 1/20 0.39
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
ALDH1A1 P00352 3/20 0.35
AR P10275 1/20 0.34
KDM4E B2RXH2 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PMP22 Q01453 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC2A1 P11166 3/20 0.34
CYP2D6 P10635 1/20 0.34
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
SCHEMBL6171792 0.89 IGF1R (0.44) IGF1RCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6173145 0.88 IGF1R (0.43) IGF1RCYP3A4CYP2C9CYP2C19AR
SCHEMBL6174619 0.88 IGF1R (0.43) IGF1RMAPTCYP3A4GAACYP2C9
SCHEMBL6177961 0.88 MAPK7 (0.39) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174623 0.86 IGF1R (0.42) IGF1RCYP3A4CYP2C9CYP2C19AR
SCHEMBL6172835 0.86 IGF1R (0.42) IGF1RMAPTCYP2C9THRBAR
SCHEMBL6176113 0.83 IGF1R (0.42) IGF1RCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6172276 0.82 IGF1R (0.41) IGF1RMAPTCYP3A4GAACYP2C9
SCHEMBL6173607 0.81 IGF1R (0.42) IGF1RMAPTCYP3A4GAACYP2C9
SCHEMBL6172572 0.81 IGF1R (0.41) IGF1RCYP3A4CYP2C9CYP2C19AR

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