SCHEMBL3924941

SCHEMBL3924941

COc1cncc(-c2cn(-c3cc(NC(=O)Oc4ccnn4-c4ccc(C)cc4)ccc3C)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.45
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL2085804 0.81 BRAF (0.61) BRAF
SCHEMBL2083847 0.74 BRAF (0.73) BRAF
SCHEMBL4023060 0.74 BRAF (0.52) BRAF
SCHEMBL4020553 0.74 TEK (0.55) BRAF
SCHEMBL4016675 0.74 BRAF (0.60) BRAF
SCHEMBL4036488 0.73 STIM1 (0.51) BRAF
SCHEMBL4021247 0.73 TEK (0.55) BRAF
SCHEMBL4016744 0.73 BRAF (0.61) BRAF
SCHEMBL4014587 0.72 BRAF (0.52) BRAF
SCHEMBL13843742 0.72 BRAF (0.45) BRAF

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-2041116-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS Boehringer Ingelheim International GmbH (DE) 2009-04-01 EP claimed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO claimed
EP-2041116-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS Boehringer Ingelheim International GmbH (DE) 2009-04-01 EP disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed