SCHEMBL1736558

SCHEMBL1736558

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccc(CNCC(=O)OC(C)(C)C)cc3)cn2)cc1.COc1ccc(-c2cnc(Nc3ccc(OCCN(CCO)CCO)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.46
NOD2 Q9HC29 6/20 0.46
MCHR1 Q99705 9/20 0.46
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ACVR1 Q04771 4/20 0.41
ESR1 P03372 1/20 0.41
KDR P35968 1/20 0.41
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL1735219 0.93 RIPK2 (0.44) RIPK2NOD2MCHR1MMP1MMP9
SCHEMBL1734414 0.82 CDK4 (0.47) RIPK2NOD2MCHR1ACVR1CDK4
SCHEMBL13605286 0.81 MCHR1 (0.43) RIPK2NOD2MCHR1ACVR1
SCHEMBL13605663 0.81 S1PR1 (0.40)
SCHEMBL1735220 0.81 RIPK2 (0.52) RIPK2NOD2MCHR1ACVR1ESR1
SCHEMBL1734235 0.81 RIPK2 (0.43) RIPK2NOD2MCHR1ACVR1ESR1
SCHEMBL1734449 0.81 MCHR1 (0.53) RIPK2NOD2MCHR1ACVR1KDR
SCHEMBL1734406 0.79 MCHR1 (0.65) RIPK2NOD2MCHR1ACVR1ESR1
SCHEMBL13605269 0.79 RIPK2 (0.46) RIPK2NOD2MCHR1ACVR1KDR
SCHEMBL13605265 0.79 CDK4 (0.47) RIPK2NOD2MCHR1ACVR1CDK4

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 disclosed