SCHEMBL3936060

SCHEMBL3936060

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccc(CN)nc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.79
CYP2C9 P11712 6/20 0.78
LCK P06239 2/20 0.58
BTK Q06187 2/20 0.58
KDR P35968 1/20 0.58
MAPK14 Q16539 1/20 0.58
CSF1R P07333 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
SCHEMBL3932579 0.88 BRAF (1.00) BRAFCYP2C9LCKBTKKDR
SCHEMBL3934396 0.88 BRAF (1.00) BRAFCYP2C9LCKBTKKDR
SCHEMBL5454356 0.87 BRAF (0.59) BRAFCYP2C9BTKCSF1R
SCHEMBL3944141 0.86 BRAF (0.82) BRAFCYP2C9LCKBTKKDR
SCHEMBL3941588 0.86 BRAF (0.82) BRAFCYP2C9LCKBTKKDR
SCHEMBL3932791 0.86 BRAF (1.00) BRAFCYP2C9LCKBTKKDR
SCHEMBL3932618 0.85 BRAF (0.85) BRAFCYP2C9LCKBTKKDR
SCHEMBL3929867 0.85 BRAF (1.00) BRAFCYP2C9LCKBTKKDR
SCHEMBL3934670 0.85 BRAF (0.88) BRAFCYP2C9LCKBTKKDR
SCHEMBL3929892 0.85 BRAF (1.00) BRAFCYP2C9LCKBTKKDR

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