SCHEMBL14154159

SCHEMBL14154159

COC1=C2C(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)=NC=NN2CC1OCCCN1CCC(CO)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.61
EGFR P00533 1/20 0.61
IGF1R P08069 1/20 0.61
FGFR1 P11362 1/20 0.61
SRC P12931 1/20 0.61
FGFR2 P21802 1/20 0.61
FGFR4 P22455 1/20 0.61
FGFR3 P22607 1/20 0.61
CDK2 P24941 1/20 0.61
KDR P35968 1/20 0.61
CSK P41240 1/20 0.61
JAK3 P52333 1/20 0.61
PTK2 Q05397 1/20 0.61
AURKA O14965 19/20 0.46

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
SCHEMBL14154221 0.93 AURKB (0.59) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL14154111 0.87 AURKB (0.51) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL14154263 0.83 AURKA (0.53) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL13248919 0.77 AURKB (0.77) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5045154 0.76 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL31060166 0.76 AURKB (1.00) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL14154178 0.76 AURKA (0.51) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1735772 0.75 AURKB (0.70) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL1734663 0.75 AURKB (0.73) AURKBEGFRIGF1RFGFR1SRC
SCHEMBL5048903 0.74 AURKB (0.80) AURKBEGFRIGF1RFGFR1SRC

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
US-7402582-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-22 US disclosed