SCHEMBL4783136

SCHEMBL4783136

COc1c(NC(=O)c2cnc(C)c(-n3cc(C(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1C(=O)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.39
GSK3A P49840 11/20 0.36
LYN P07948 1/20 0.36
MAPK9 P45984 1/20 0.36
BUB1 O43683 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRKACG P22612 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK11 Q15759 1/20 0.35
ACSL5 Q9ULC5 1/20 0.35
STK24 Q9Y6E0 1/20 0.35
SRC P12931 5/20 0.34
SYK P43405 5/20 0.34
HPGDS O60760 3/20 0.34
BRAF P15056 1/20 0.34
CRHR1 P34998 2/20 0.33

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
SCHEMBL4781910 0.89 GSK3A (0.33) MAPK14GSK3ACYP2C9SRCSYK
SCHEMBL4955400 0.85 BRAF (0.42) MAPK14LYNMAPK9BRAF
SCHEMBL4782271 0.84 MAPK14 (0.39) MAPK14GSK3ACYP2C9BRAF
SCHEMBL4784135 0.81 CYP1A2 (0.48) CYP2C9
SCHEMBL1384412 0.78 BRAF (0.37) MAPK14BRAF
SCHEMBL1379672 0.78 BRAF (0.41) MAPK14GSK3ASRCSYKBRAF
SCHEMBL1378181 0.77 BRAF (0.40) BRAF
SCHEMBL1380031 0.77 TUBB4A (0.41) BRAF
SCHEMBL4780945 0.75 DDT (0.33)
SCHEMBL6807093 0.74 BRAF (0.49) MAPK14BRAF

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