SCHEMBL4736008

SCHEMBL4736008

Cc1ccncc1-c1ccc2nc(Nc3ccc(CN(C)CCO)cc3)ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.62
▸ MAP4K1 Q92918 1/20 0.50
▸ ABL1 P00519 1/20 0.46
▸ RAF1 P04049 1/20 0.44

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
SCHEMBL4738322 0.79 BRAF (0.62) BRAFMAP4K1RAF1
SCHEMBL4735381 0.78 BRAF (0.78) BRAFRAF1
SCHEMBL14569081 0.77 ABL1 (0.58) BRAFMAP4K1ABL1
SCHEMBL4735339 0.76 BRAF (0.58) BRAFMAP4K1
SCHEMBL4736963 0.75 BRAF (0.68) BRAFRAF1
SCHEMBL3034030 0.74 BRAF (0.68) BRAFRAF1
SCHEMBL5129995 0.72 BRAF (0.77) BRAFRAF1
SCHEMBL5495562 0.71 BRAF (0.48) BRAFMAP4K1ABL1
SCHEMBL4885707 0.71 BRAF (0.83) BRAFRAF1
SCHEMBL4738974 0.70 BRAF (0.53) BRAFMAP4K1ABL1

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-2008068507-A2 2 -PHENYLAMINO, 6- (PYRID-3-YL) QUINAZOLINE DERIVATIVES AS RAF-PROTEIN KINASE INHIBITORS IN CANCER TREATMENT ASTRAZENECA AB (SE) 2008-06-12 — — WO claimed
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