SCHEMBL1735356

SCHEMBL1735356

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.49
NOD2 Q9HC29 7/20 0.49
ACVR1 Q04771 5/20 0.49
SRC P12931 3/20 0.49
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CCND2 P30279 2/20 0.48
CCND3 P30281 2/20 0.48
MCHR1 Q99705 1/20 0.48
WEE1 P30291 4/20 0.47
CSNK2A1 P68400 1/20 0.44
KDR P35968 2/20 0.44
ESR1 P03372 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL1734211 0.89 RARA (0.52) RIPK2NOD2ACVR1SRCCDK4
SCHEMBL1735255 0.87 CSNK2A1 (0.60) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL1736520 0.86 MCHR1 (0.46) RIPK2NOD2ACVR1SRCMCHR1
SCHEMBL1735257 0.82 MCHR1 (0.59) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL1734399 0.82 MCHR1 (0.52) RIPK2NOD2ACVR1MCHR1KDR
SCHEMBL1735289 0.81 MCHR1 (0.50) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL1735178 0.81 MCHR1 (0.52) RIPK2NOD2ACVR1SRCCDK4
SCHEMBL13605301 0.80 RIPK2 (0.61) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL13605344 0.80 CDK4 (0.54) RIPK2NOD2ACVR1CDK4CCND1
SCHEMBL1734406 0.79 MCHR1 (0.65) RIPK2NOD2ACVR1CDK4CCND1

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