SCHEMBL3933867

SCHEMBL3933867

Cc1ccc(NC(=O)c2cc(F)cc(C(C)(C)C#N)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.79
CYP2C9 P11712 7/20 0.79
CSF1R P07333 2/20 0.54
MAPK14 Q16539 2/20 0.54
JAK2 O60674 1/20 0.54
PDGFRB P09619 1/20 0.54
FGFR1 P11362 1/20 0.54
EPHB4 P54760 1/20 0.54
PTK2 Q05397 1/20 0.54
LCK P06239 1/20 0.49
KDR P35968 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL3942817 0.88 BRAF (1.00) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3934840 0.84 BRAF (0.78) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3943990 0.81 BRAF (0.57) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL4749967 0.81 BRAF (0.57) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3934742 0.81 BRAF (0.66) BRAFCYP2C9MAPK14LCK
SCHEMBL3933254 0.80 BRAF (0.81) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3931831 0.80 BRAF (0.81) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3943350 0.80 BRAF (0.81) BRAFCYP2C9CSF1RMAPK14JAK2
SCHEMBL3932618 0.80 BRAF (0.85) BRAFCYP2C9MAPK14LCKKDR
SCHEMBL4973741 0.80 BRAF (0.51) BRAFCYP2C9KDR

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 4 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 claimed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO claimed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO disclosed