SCHEMBL14537045

SCHEMBL14537045

Cc1cc(Nc2nc(C(N)=O)cn3c(-c4cnn(C)c4)cnc23)sn1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 15/20 0.66
▸ AURKB Q96GD4 15/20 0.66
▸ CHEK1 O14757 2/20 0.61
▸ LCK P06239 2/20 0.53
▸ EGFR P00533 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ CSNK1D P48730 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ PLK3 Q9H4B4 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49
▸ PTK6 Q13882 1/20 0.48

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
SCHEMBL12404504 0.84 CHEK1 (0.74) AURKAAURKBCHEK1LCKEGFR
SCHEMBL14507501 0.84 AURKA (0.73) AURKAAURKBCHEK1LCKEGFR
SCHEMBL12473591 0.84 AURKB (0.59) AURKAAURKBCHEK1LCKEGFR
SCHEMBL14538585 0.84 AURKA (0.71) AURKAAURKBCHEK1LCKEGFR
SCHEMBL8246877 0.82 AURKA (0.67) AURKAAURKBCHEK1LCKEGFR
SCHEMBL8247338 0.81 AURKA (0.73) AURKAAURKBCHEK1LCKEGFR
SCHEMBL12473405 0.81 CHEK1 (0.56) AURKAAURKBCHEK1LCKEGFR
SCHEMBL12404465 0.80 AURKA (0.67) AURKAAURKBCHEK1LCKEGFR
SCHEMBL12404477 0.80 AURKA (0.66) AURKAAURKBCHEK1LCKEGFR
SCHEMBL12404560 0.80 AURKB (0.64) AURKAAURKBCHEK1LCKEGFR

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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