SCHEMBL4738322

SCHEMBL4738322

Cc1ccncc1-c1ccc2nc(Nc3ccc(S(=O)(=O)NCCO)cc3)ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.62
▸ IKBKB O14920 4/20 0.50
▸ RAF1 P04049 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.47
▸ CHUK O15111 1/20 0.46
▸ SYK P43405 1/20 0.45

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
SCHEMBL4735339 0.91 BRAF (0.58) BRAFIKBKBMAP4K1CHUK
SCHEMBL4736008 0.79 BRAF (0.62) BRAFRAF1MAP4K1
SCHEMBL4735381 0.77 BRAF (0.78) BRAFRAF1
SCHEMBL14569081 0.75 ABL1 (0.58) BRAFMAP4K1
SCHEMBL4736963 0.73 BRAF (0.68) BRAFRAF1
SCHEMBL1324409 0.71 CA12 (0.48) IKBKBSYK
SCHEMBL4738027 0.71 IKBKB (0.55) BRAFIKBKBCHUK
SCHEMBL4885707 0.71 BRAF (0.83) BRAFRAF1
SCHEMBL4738974 0.71 BRAF (0.53) BRAFMAP4K1
SCHEMBL11190640 0.69 IKBKB (0.61) IKBKBSYK

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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