SCHEMBL6173440

SCHEMBL6173440

CC(c1ccncc1CO)C1(C(C)c2ccncc2CO)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PDE2A O00408 2/20 0.34
LIPE Q05469 3/20 0.34
NTRK1 P04629 1/20 0.34
CXCR3 P49682 4/20 0.34
TEAD1 P28347 2/20 0.33
TEAD4 Q15561 2/20 0.33
TEAD2 Q15562 2/20 0.33
TEAD3 Q99594 2/20 0.33
AR P10275 1/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 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
SCHEMBL6175704 0.91 POLB (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173276 0.89 CYP3A4 (0.35) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173429 0.86 POLB (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173913 0.85 IGF1R (0.43) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL2941010 0.85 CYP3A4 (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6172522 0.85 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173690 0.85 CYP3A4 (0.41) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6175486 0.84 CYP3A4 (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6177145 0.84 IGF1R (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6174812 0.84 ALDH1A1 (0.38) CYP3A4GAACYP2C9CYP2C19ALDH1A1

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