SCHEMBL4729370

SCHEMBL4729370

Cc1ncc(NC(=O)c2cc(CN3CCN(C)CC3)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.46
LCK P06239 4/20 0.45
CSF1R P07333 4/20 0.45
MAPK14 Q16539 2/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
ERBB4 Q15303 1/20 0.45
DDR2 Q16832 5/20 0.44
DDR1 Q08345 3/20 0.44
BCR P11274 1/20 0.44
BRAF P15056 3/20 0.42
RAF1 P04049 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
BTK Q06187 1/20 0.41
TEK Q02763 1/20 0.41

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
SCHEMBL4726861 0.94 TEK (0.47) BRAFRAF1KDM4EALDH1A1MAPT
SCHEMBL4729086 0.93 CYP2C9 (0.47) BRAFRAF1TEK
SCHEMBL4728240 0.92 RAF1 (0.49) BRAFRAF1
SCHEMBL4728277 0.87 TEK (0.40) BRAFRAF1TEK
SCHEMBL4729438 0.84 MEN1 (0.54) BRAFRAF1ALDH1A1MAPT
SCHEMBL4729210 0.82 TRPV1 (0.42) MAPK14BRAFRAF1
SCHEMBL4729212 0.82 TRPV1 (0.41) MAPK14BRAFRAF1
SCHEMBL4729484 0.82 TRPV1 (0.41) MAPK14BRAFRAF1
SCHEMBL4729516 0.82 RAF1 (0.39) MAPK14BRAFRAF1
SCHEMBL4727399 0.81 RAF1 (0.40) MAPK14BRAFRAF1

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed