SCHEMBL4788092

SCHEMBL4788092

CNc1c(C(=O)Nc2cc(Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.53
RAF1 P04049 4/20 0.51
ARAF P10398 3/20 0.51
CDK8 P49336 4/20 0.43
TRPV1 Q8NER1 1/20 0.42
MAPK14 Q16539 2/20 0.42
BTK Q06187 1/20 0.42
KDR P35968 2/20 0.41
LCK P06239 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL4788095 0.91 BRAF (0.63) BRAFRAF1ARAFMAPK14BTK
SCHEMBL4788852 0.91 BRAF (0.43) BRAFRAF1ARAFCDK8MAPK14
SCHEMBL4788641 0.86 LCK (0.49) BRAFRAF1ARAFCDK8MAPK14
SCHEMBL4788889 0.85 BMX (0.53) BRAFRAF1MAPK14BTKKDR
SCHEMBL4789707 0.84 BRAF (0.47) BRAFBTKJAK3
SCHEMBL4789920 0.84 KDR (0.44) BRAFRAF1MAPK14BTKKDR
SCHEMBL4788647 0.83 LCK (0.46) BRAFRAF1ARAFMAPK14KDR
SCHEMBL4788870 0.82 KMT2A (0.60) BRAFRAF1MAPK14
SCHEMBL4789713 0.82 BMX (0.41) BRAFMAPK14JAK3
SCHEMBL4788857 0.82 BRAF (0.52) BRAFRAF1ARAFMAPK14KDR

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed