SCHEMBL4735339

SCHEMBL4735339

Cc1ccncc1-c1ccc2nc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.58
▸ CDK2 P24941 3/20 0.51
▸ IKBKB O14920 5/20 0.51
▸ SRC P12931 1/20 0.51
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ MAP4K1 Q92918 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ NEK1 Q96PY6 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
SCHEMBL4738322 0.91 BRAF (0.62) BRAFIKBKBMAP4K1CHUK
SCHEMBL4738027 0.82 IKBKB (0.55) BRAFCDK2IKBKBSRCCDK1
SCHEMBL4735381 0.79 BRAF (0.78) BRAF
SCHEMBL4736963 0.79 BRAF (0.68) BRAFCDK2
SCHEMBL4736008 0.76 BRAF (0.62) BRAFMAP4K1
SCHEMBL14569081 0.74 ABL1 (0.58) BRAFMAP4K1
SCHEMBL3521241 0.71 IKBKB (0.74) CDK2IKBKBCDK1CDK4CHUK
SCHEMBL3516492 0.71 IKBKB (0.72) CDK2IKBKBCDK1CDK4CHUK
SCHEMBL3522686 0.71 IKBKB (0.72) CDK2IKBKBCDK1CDK4CHUK
SCHEMBL3520093 0.71 IKBKB (0.72) CDK2IKBKBCDK1CDK4CHUK

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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