SCHEMBL4795281

SCHEMBL4795281

CS(=O)(=O)Cc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
CYP2D6 P10635 1/20 0.44
AURKA O14965 5/20 0.43
AURKB Q96GD4 2/20 0.43
CDK2 P24941 2/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
NPC1 O15118 1/20 0.42
PDPK1 O15530 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
MAPT P10636 1/20 0.42
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR3 P22607 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MARK3 P27448 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
SCHEMBL14292023 0.91 CDK4 (0.43) KDRAURKAAURKBCDK2MAPT
SCHEMBL14293019 0.89 KDR (0.44) KDRAURKAAURKBCDK2CHEK1
SCHEMBL14292465 0.89 KDR (0.44) KDRCDK2PIM1RPS6KA3MET
SCHEMBL14292655 0.88 KDR (0.44) KDRAURKAAURKBCDK2CHEK1
SCHEMBL14292646 0.88 KDR (0.47) KDRAURKACDK2IKBKBMET
SCHEMBL14292464 0.87 EGFR (0.47) KDRCDK2NPC1MAPTMAPK1
SCHEMBL14292644 0.86 AURKA (0.50) KDRAURKAMET
SCHEMBL14292759 0.84 AURKA (0.59) CYP2D6AURKAAURKBCDK2CHEK1
SCHEMBL14293034 0.84 AURKA (0.45) KDRAURKAAURKBCDK2CDK1
SCHEMBL14293061 0.83 AURKA (0.56) KDRAURKAAURKBCDK2IKBKB

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-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed