SCHEMBL6177217

SCHEMBL6177217

CC1(Cc2ccnc(NNC(=O)c3ccccc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.39
GAA P10253 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
IGF1R P08069 5/20 0.36
GCGR P47871 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NAMPT P43490 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL6177581 0.87 IGF1R (0.50) IGF1R
SCHEMBL6174213 0.87 IGF1R (0.40) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6171765 0.85 IGF1R (0.41) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6175032 0.85 MAPK1 (0.43) IGF1RNAMPTTRPV1
SCHEMBL6173728 0.85 MEN1 (0.47) IGF1RNAMPT
SCHEMBL6174271 0.85 LMNA (0.43) GAACYP3A4CYP2C9CYP2C19IGF1R
SCHEMBL6172079 0.84 IGF1R (0.47) GAACYP3A4CYP2C9CYP2C19IGF1R
SCHEMBL6175298 0.84 GRM5 (0.45) ALDH1A1IGF1RGCGRTRPV1
SCHEMBL6177003 0.83 TDP1 (0.42) GAAIGF1RGCGR
SCHEMBL2939943 0.82 IGF1R (0.56) IGF1RGCGR

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