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SCHEMBL3936471

SCHEMBL3936471

CNC(=O)c1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 1.00
▸ CYP2C9 P11712 5/20 0.81
▸ ABL1 P00519 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ KIT P10721 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ CSF1R P07333 1/20 0.56
▸ HCK P08631 1/20 0.53
▸ NR2C2 P49116 1/20 0.53
▸ BTK Q06187 1/20 0.53

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
SCHEMBL3931650 0.90 BRAF (1.00) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3934902 0.89 BRAF (1.00) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3934816 0.88 BRAF (0.83) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3934034 0.88 BRAF (0.83) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3939123 0.88 BRAF (0.83) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3933651 0.87 BRAF (0.81) BRAFCYP2C9ABL1LCKKIT
SCHEMBL5442743 0.87 BRAF (0.77) BRAFCYP2C9CSF1RHCKNR2C2
SCHEMBL3935655 0.87 BRAF (0.77) BRAFCYP2C9ABL1LCKKIT
SCHEMBL3939889 0.86 BRAF (1.00) BRAFCYP2C9ABL1LCKKIT
SCHEMBL4012382 0.86 BRAF (0.80) BRAFCYP2C9ABL1LCKKIT

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
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 — — EP disclosed