SCHEMBL6171771

SCHEMBL6171771

CC1(Cc2ccncc2NC(=O)NCc2ccccc2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.41
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SHMT2 P34897 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 1/20 0.36
NTRK1 P04629 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL6173492 0.89 KCNK2 (0.41) IGF1RKDM4DKDM4C
SCHEMBL6708303 0.87 TRPV1 (0.50) SHMT2TRPV1KMT2ANTRK1KDM4E
SCHEMBL6171908 0.87 NAMPT (0.49) IGF1R
SCHEMBL6175144 0.87 IGF1R (0.39) IGF1RNTRK1KDM4C
SCHEMBL6176971 0.85 IGF1R (0.40) IGF1RMAPTTRPV1MEN1KMT2A
SCHEMBL6172038 0.85 IGF1R (0.41) IGF1RNTRK1
SCHEMBL6173999 0.84 IGF1R (0.40) IGF1RMAPTMEN1KMT2A
SCHEMBL6174742 0.83 IGF1R (0.40) IGF1RNTRK1
SCHEMBL3730848 0.82 IGF1R (0.60) IGF1R
SCHEMBL6173746 0.82 LMNA (0.42) IGF1RTRPV1MEN1KMT2A

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