SCHEMBL1735394

SCHEMBL1735394

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccc(CNC(C(=O)O)C(C)(C)C)c(F)c3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.43
NOD2 Q9HC29 7/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCND2 P30279 2/20 0.42
CCND3 P30281 2/20 0.42
ACVR1 Q04771 5/20 0.42
HRH3 Q9Y5N1 2/20 0.42
LCK P06239 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
MCHR1 Q99705 1/20 0.38
ESR1 P03372 1/20 0.38
WEE1 P30291 3/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL1735191 0.86 RIPK2 (0.43) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1735231 0.84 HRH3 (0.45) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1734235 0.82 RIPK2 (0.43) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1734211 0.80 RARA (0.52) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1735388 0.80 HRH3 (0.52) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1736459 0.76 RIPK2 (0.48) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL4462748 0.76 HRH3 (0.49) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1736410 0.76 RIPK2 (0.51) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1735193 0.75 RIPK2 (0.43) RIPK2NOD2CDK4CCND1CCND2
SCHEMBL1735255 0.74 CSNK2A1 (0.60) RIPK2NOD2CDK4CCND1CCND2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP claimed