SCHEMBL14537007

SCHEMBL14537007

Nn1cc(-c2cnc3c(Nc4cccnc4)nccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.48
▸ TTK P33981 2/20 0.45
▸ AURKB Q96GD4 6/20 0.44
▸ MAP4K4 O95819 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ KDR P35968 1/20 0.36
▸ MAPKAPK5 Q8IW41 3/20 0.36

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
SCHEMBL14536959 0.90 TTK (0.54) AURKATTKAURKBMAPKAPK5
SCHEMBL14530182 0.87 AURKA (0.53) AURKATTKAURKBMAPKAPK5
SCHEMBL8247128 0.87 AURKA (0.63) AURKATTKAURKBMAP4K4CCNA2
SCHEMBL14537040 0.82 AURKA (0.48) AURKATTKAURKBMKNK1MAPKAPK5
SCHEMBL14538587 0.81 AURKA (0.44) AURKATTKAURKBCCNA2CDK2
SCHEMBL14529898 0.81 TTK (0.44) AURKATTKAURKBKDRMAPKAPK5
SCHEMBL14536953 0.80 AURKA (0.42) AURKATTKAURKBMAP4K4MAPKAPK5
SCHEMBL14530020 0.80 AURKA (0.62) AURKATTKAURKBCDK2CDK5
SCHEMBL14537008 0.80 AURKA (0.46) AURKATTKAURKB
SCHEMBL14536833 0.79 AURKA (0.48) AURKATTKAURKBMAPKAPK5

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-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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