SCHEMBL8034828

SCHEMBL8034828

O=C(Nc1cnc2[nH]nc(-c3cccc(CN4CCCCC4)c3)c2c1)c1c(F)ccc([SiH3])c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
DYRK1A Q13627 5/20 0.43
WNT1 P04628 4/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
IGF1R P08069 1/20 0.42
CLK2 P49760 3/20 0.41
CLK3 P49761 2/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
CSF1R P07333 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
SCHEMBL14235967 0.91 BRAF (0.45) BRAFDYRK1AWNT1CDK5CDK5R1
SCHEMBL1593931 0.85 BRAF (0.62) BRAF
SCHEMBL1593253 0.78 BRAF (0.61) BRAF
SCHEMBL1592858 0.73 CNR2 (0.46) DYRK1ACLK2CLK3KDR
SCHEMBL14236417 0.73 BRAF (0.48) BRAFCLK2DYRK3PRKD3MAP4K4
SCHEMBL13705609 0.71 CDK1 (0.54) DYRK1ACDK5CLK2DYRK3PRKD3
SCHEMBL14236414 0.70 BRAF (0.49) BRAF
SCHEMBL1592880 0.70 BRAF (0.71) BRAF
SCHEMBL14236068 0.69 BRAF (0.53) BRAFDYRK1AWNT1CLK2DYRK3
SCHEMBL8032286 0.69 BRAF (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed