SCHEMBL6175133

SCHEMBL6175133

CC(c1ccnc(NC(=O)c2cccc(Cl)c2)c1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
POLB P06746 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CBLB Q13191 6/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
BRAF P15056 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6172184 0.92 NPC1 (0.39) CBLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6174110 0.88 NPC1 (0.39) MAPK14CBLBNPC1RAB9AALDH1A1
SCHEMBL6174034 0.87 CBLB (0.36) POLBCBLBTP53NPC1RAB9A
SCHEMBL6175302 0.87 GRM5 (0.45) GRM5MAPK13MAPK12MAPK11MAPK14
SCHEMBL6176337 0.86 NPC1 (0.39) MAPK13MAPK12MAPK11MAPK14CBLB
SCHEMBL6174217 0.84 IGF1R (0.38) CBLBNPC1RAB9AALDH1A1
SCHEMBL6177664 0.84 IGF1R (0.37)
SCHEMBL6172433 0.83 GAA (0.38) GRM5POLBTP53MAPTBRAF
SCHEMBL6175398 0.82 GRM5 (0.43) GRM5POLBMAPK13MAPK12MAPK11
SCHEMBL6173893 0.82 LMNA (0.39) CBLBTP53ALDH1A1

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