SCHEMBL5603871

SCHEMBL5603871

Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.41
RAF1 P04049 18/20 0.41
PLAU P00749 1/20 0.40

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
SCHEMBL4541536 0.90 BRAF (0.43) BRAFRAF1PLAU
SCHEMBL5592994 0.89 RAF1 (0.48) BRAFRAF1
SCHEMBL4551368 0.85 RAF1 (0.46) BRAFRAF1PLAU
SCHEMBL5604506 0.82 PLAU (0.40) BRAFRAF1PLAU
SCHEMBL4541538 0.80 RAF1 (0.56) BRAFRAF1
SCHEMBL4544150 0.77 USP30 (0.44) BRAFRAF1PLAU
SCHEMBL5623710 0.77 RAF1 (0.50) BRAFRAF1PLAU
SCHEMBL4408603 0.75 RAF1 (0.48) BRAFRAF1
SCHEMBL4551369 0.74 RAF1 (0.53) BRAFRAF1
SCHEMBL5602958 0.74 RAF1 (0.45) BRAFRAF1PLAU

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed