SCHEMBL4728217

SCHEMBL4728217

COc1ccc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)N(C)C3CCCO3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.40
BRAF P15056 11/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
AXL P30530 4/20 0.39
MERTK Q12866 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4727070 0.90 RAF1 (0.46) RAF1BRAFAXLMERTK
SCHEMBL4728221 0.84 HPGD (0.48)
SCHEMBL4728365 0.83 RAF1 (0.41) RAF1BRAF
SCHEMBL4727373 0.83 RAF1 (0.47) RAF1BRAFAXLMERTKRXFP1
SCHEMBL4727073 0.81 MAPK14 (0.48) RAF1BRAFAXLMERTK
SCHEMBL4725917 0.81 RAF1 (0.44) RAF1BRAF
SCHEMBL4781617 0.79 MAPT (0.46) RXFP1
SCHEMBL4847531 0.78 RAF1 (0.47) RAF1BRAF
SCHEMBL4727417 0.76 STIM1 (0.44) RAF1BRAFRXFP1
SCHEMBL4729229 0.75 MEN1 (0.52)

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