SCHEMBL4783890

SCHEMBL4783890

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-n2cc(C(=O)N3CC4CCC(C3)O4)nn2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.32
MAPK14 Q16539 5/20 0.31
NR1I2 O75469 1/20 0.31
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 0.30

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
SCHEMBL4782086 0.92 GPR119 (0.32) GPR119MAPK14NR1I2
SCHEMBL4782655 0.87 GPR119 (0.33) GPR119MAPK14NR1I2RAF1BRAF
SCHEMBL4781600 0.84 TEK (0.38) GPR119NR1I2RAF1BRAF
SCHEMBL4783259 0.84 MAPK14 (0.34) MAPK14NR1I2BRAF
SCHEMBL4781042 0.83 BRAF (0.32) MAPK14NR1I2RAF1BRAF
SCHEMBL4783260 0.83 MAPK14 (0.31) MAPK14NR1I2RAF1BRAF
SCHEMBL4781875 0.82 SCN10A (0.34) MAPK14NR1I2RAF1BRAF
SCHEMBL4725580 0.81 RAF1 (0.40) MAPK14RAF1BRAF
SCHEMBL4799766 0.81 DDT (0.32) MAPK14NR1I2RAF1BRAF
SCHEMBL4781726 0.77 MAPK14 (0.41) MAPK14

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