SCHEMBL3943350

SCHEMBL3943350

Cc1ccc(NC(=O)c2cccc(C(C)(C#N)CO)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.81
CYP2C9 P11712 7/20 0.81
MAPK14 Q16539 2/20 0.61
JAK2 O60674 1/20 0.61
CSF1R P07333 1/20 0.61
PDGFRB P09619 1/20 0.61
FGFR1 P11362 1/20 0.61
EPHB4 P54760 1/20 0.61
PTK2 Q05397 1/20 0.61
LCK P06239 2/20 0.56
BTK Q06187 2/20 0.56
KDR P35968 1/20 0.56

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
SCHEMBL3933254 0.93 BRAF (0.81) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3942817 0.90 BRAF (1.00) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3931831 0.87 BRAF (0.81) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3932501 0.84 BRAF (1.00) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3931460 0.82 BRAF (0.71) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3932618 0.82 BRAF (0.85) BRAFCYP2C9MAPK14LCKBTK
SCHEMBL3934840 0.81 BRAF (0.78) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3933867 0.80 BRAF (0.79) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3930091 0.80 BRAF (0.81) BRAFCYP2C9MAPK14JAK2CSF1R
SCHEMBL3931664 0.80 BRAF (0.81) BRAFCYP2C9MAPK14LCKBTK

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 2 patents. 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
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed