SCHEMBL3934840

SCHEMBL3934840

Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.78
CYP2C9 P11712 7/20 0.78
JAK2 O60674 1/20 0.53
CSF1R P07333 1/20 0.53
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
EPHB4 P54760 1/20 0.53
PTK2 Q05397 1/20 0.53
MAPK14 Q16539 1/20 0.53
RAF1 P04049 3/20 0.50

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) BRAFCYP2C9JAK2CSF1RPDGFRB
SCHEMBL3933867 0.84 BRAF (0.79) BRAFCYP2C9JAK2CSF1RPDGFRB
SCHEMBL3933224 0.82 BRAF (0.62) BRAFCYP2C9RAF1
SCHEMBL3936862 0.82 BRAF (0.57) BRAFCYP2C9RAF1
SCHEMBL3939108 0.82 BRAF (0.78) BRAFCYP2C9CSF1R
SCHEMBL3933254 0.81 BRAF (0.81) BRAFCYP2C9JAK2CSF1RPDGFRB
SCHEMBL3943350 0.81 BRAF (0.81) BRAFCYP2C9JAK2CSF1RPDGFRB
SCHEMBL3931831 0.81 BRAF (0.81) BRAFCYP2C9JAK2CSF1RPDGFRB
SCHEMBL29877984 0.81 RAF1 (0.58) BRAFRAF1
SCHEMBL3934844 0.80 BRAF (0.60) BRAFCYP2C9JAK2CSF1RPDGFRB

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