SCHEMBL14536803

SCHEMBL14536803

Cc1cc(Nc2nc(S[C@@H]3CCNC3)cn3c(-c4cnn(C)c4)cnc23)sn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.60
▸ AURKA O14965 15/20 0.58
▸ AURKB Q96GD4 14/20 0.58
▸ LCK P06239 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ EGFR P00533 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ CSNK1D P48730 1/20 0.54
▸ RPS6KA3 P51812 1/20 0.54
▸ PLK3 Q9H4B4 1/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.54
▸ PTK6 Q13882 1/20 0.48
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45

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
SCHEMBL13155374 1.00 CHEK1 (0.60) CHEK1AURKAAURKBLCKCDK2
SCHEMBL13955001 0.88 LCK (0.72) CHEK1AURKAAURKBLCKCDK2
SCHEMBL14538375 0.86 CHEK1 (0.49) CHEK1AURKAAURKBLCKCDK2
SCHEMBL8239888 0.82 AURKA (0.70) CHEK1AURKAAURKBLCKCDK2
SCHEMBL14507498 0.82 CHEK1 (0.60) CHEK1AURKAAURKBLCKCDK2
SCHEMBL8246082 0.81 CHEK1 (0.64) CHEK1AURKAAURKBLCKCDK2
SCHEMBL14529991 0.81 CHEK1 (0.64) CHEK1AURKAAURKBLCKCDK2
SCHEMBL13899597 0.80 AURKA (0.43) CHEK1AURKAAURKBLCKCDK2
SCHEMBL12404571 0.79 CHEK1 (0.59) CHEK1AURKAAURKBLCKCDK2
SCHEMBL13155408 0.79 LCK (0.79) CHEK1AURKAAURKBLCKCDK2

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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
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