SCHEMBL14154263

SCHEMBL14154263

CC1=C2C(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)=NC=NN2CC1OCCCN1CCC[C@H]1CO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.53
AURKB Q96GD4 4/20 0.48
KDR P35968 2/20 0.48
EGFR P00533 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
CDK2 P24941 1/20 0.48
CSK P41240 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35

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 0.89 AURKB (0.59) AURKAAURKBKDREGFRIGF1R
SCHEMBL14154178 0.87 AURKA (0.51) AURKAAURKBKDREGFRIGF1R
SCHEMBL14154111 0.83 AURKB (0.51) AURKAAURKBKDREGFRIGF1R
SCHEMBL14154159 0.83 AURKB (0.61) AURKAAURKBKDREGFRIGF1R
SCHEMBL1734683 0.78 AURKA (0.63) AURKAAURKBKDREGFRIGF1R
SCHEMBL1733758 0.76 AURKA (0.62) AURKAAURKBKDREGFRIGF1R
SCHEMBL5048641 0.75 AURKA (0.87) AURKAAURKBKDREGFRIGF1R
SCHEMBL1733812 0.74 AURKA (0.64) AURKAAURKBKDREGFRIGF1R
SCHEMBL14154138 0.73 ALDH1A1 (0.35) AURKAAURKBKDREGFRCSK
SCHEMBL6530607 0.69 AURKA (0.74) AURKAAURKBKDREGFRIGF1R

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