SCHEMBL6172500

SCHEMBL6172500

CC(c1ccncc1Cc1ccccc1)C1(C(C)c2ccncc2Cc2ccccc2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.39
NAMPT P43490 1/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 2/20 0.31
CYP3A4 P08684 2/20 0.31
GAA P10253 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6177145 0.88 IGF1R (0.40) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6172519 0.88 IGF1R (0.38) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6175242 0.86 IGF1R (0.38) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6174841 0.85 IGF1R (0.42) IGF1RLMNA
SCHEMBL6174547 0.84 METAP2 (0.37) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6173750 0.84 KMT2A (0.39) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6176692 0.84 KMT2A (0.36) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6172506 0.83 NAMPT (0.40) IGF1RNAMPTLMNAALDH1A1TP53
SCHEMBL6171051 0.83 NAMPT (0.48) NAMPTCYP2C9
SCHEMBL6173546 0.83 KMT2A (0.36) IGF1RNAMPTLMNAALDH1A1TP53

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