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SCHEMBL6174199

SCHEMBL6174199

COc1ccc(-c2cc(CC3(C)NC(=O)N(c4ccc(SC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.51
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL6173239 0.90 IGF1R (0.49) IGF1R
SCHEMBL6175549 0.90 IGF1R (0.49) IGF1R
SCHEMBL6174690 0.89 IGF1R (0.48) IGF1R
SCHEMBL6174753 0.89 MAT2A (0.43) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173927 0.86 IGF1R (0.54) IGF1R
SCHEMBL6173222 0.85 MAPT (0.41) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173762 0.83 IGF1R (0.54) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174040 0.82 IGF1R (0.63) IGF1R
SCHEMBL6176651 0.82 IGF1R (0.64) IGF1R
SCHEMBL6171101 0.81 TRPA1 (0.43) —

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