SCHEMBL4782030

SCHEMBL4782030

Cc1ncc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
MAPK14 Q16539 1/20 0.41
BRAF P15056 18/20 0.41
RAF1 P04049 14/20 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
SCHEMBL4728307 0.91 RAF1 (0.45) PLAUMAPK14BRAFRAF1
SCHEMBL4781523 0.90 BRAF (0.41) BRAFRAF1
SCHEMBL4780448 0.85 RAF1 (0.43) PLAUMAPK14BRAFRAF1
SCHEMBL4779581 0.84 MAPK14 (0.39) PLAUMAPK14BRAFRAF1
SCHEMBL4781343 0.84 BRAF (0.53) BRAFRAF1
SCHEMBL4780442 0.84 PLAU (0.38) PLAUBRAFRAF1
SCHEMBL4779575 0.83 ACKR3 (0.34) BRAF
SCHEMBL4783530 0.82 ACKR3 (0.34) BRAF
SCHEMBL4727546 0.82 RAF1 (0.36) PLAUMAPK14BRAFRAF1
SCHEMBL4781339 0.81 BRAF (0.43) BRAFRAF1

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