SCHEMBL6173261

SCHEMBL6173261

CC(c1ccnc(Nc2ccccc2)c1)C1(C(C)c2ccnc(Nc3ccccc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
ABL1 P00519 10/20 0.40
BCR P11274 9/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
PLK1 P53350 1/20 0.37
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 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
SCHEMBL6173825 0.89 MAPK1 (0.42) IGF1RTP53KMT2A
SCHEMBL6174207 0.89 TSHR (0.35) IGF1RABL1BCRTP53SMN1; SMN2
SCHEMBL6171179 0.88 POLB (0.37) IGF1RTSHRKMT2AATP1A1ATP1B1
SCHEMBL6172626 0.87 IGF1R (0.40) IGF1RTSHRKMT2APLK1ATP1A1
SCHEMBL6172274 0.86 CYP3A4 (0.40) ABL1MAPKAPK2
SCHEMBL6174011 0.86 IGF1R (0.56) IGF1RMAPKAPK2TSHRKMT2A
SCHEMBL6176861 0.86 PDE2A (0.39) TSHRKMT2AATP1A1ATP1B1ATP1A3
SCHEMBL6174561 0.86 IGF1R (0.40) IGF1RTSHRKMT2APLK1
SCHEMBL6172534 0.85 IGF1R (0.40) IGF1RABL1BCRTSHRKMT2A
SCHEMBL6176554 0.85 BRAF (0.42) IGF1RMAPKAPK2KMT2A

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