SCHEMBL4780442

SCHEMBL4780442

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
BRAF P15056 17/20 0.38
RAF1 P04049 9/20 0.36
PIK3CD O00329 1/20 0.35
CFTR P13569 1/20 0.35

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
SCHEMBL4780448 0.91 RAF1 (0.43) PLAUBRAFRAF1
SCHEMBL4778219 0.86 NAPEPLD (0.40) PLAUBRAFRAF1
SCHEMBL4779575 0.86 ACKR3 (0.34) BRAF
SCHEMBL4782767 0.86 CNR2 (0.42) PLAUBRAFRAF1
SCHEMBL4783530 0.85 ACKR3 (0.34) BRAF
SCHEMBL4782171 0.85 PLAU (0.38) PLAUBRAFRAF1
SCHEMBL4781149 0.85 PLAU (0.40) PLAUBRAFRAF1CFTR
SCHEMBL4781339 0.84 BRAF (0.43) BRAFRAF1
SCHEMBL4782030 0.84 PLAU (0.47) PLAUBRAFRAF1
SCHEMBL4782131 0.84 PLAU (0.38) PLAUBRAFRAF1

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