SCHEMBL14538388

SCHEMBL14538388

Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cn[nH]c4)cnc23)sc1S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.56
▸ AURKA O14965 7/20 0.52
▸ LCK P06239 5/20 0.49
▸ AURKB Q96GD4 13/20 0.48
▸ PTK6 Q13882 4/20 0.46
▸ KDR P35968 3/20 0.44
▸ RPS6KA3 P51812 3/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ EGFR P00533 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ PLK3 Q9H4B4 1/20 0.44

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
SCHEMBL13955027 0.93 CHEK1 (0.54) CHEK1AURKALCKAURKBPTK6
SCHEMBL14536743 0.92 CHEK1 (0.54) CHEK1AURKALCKAURKBPTK6
SCHEMBL14538666 0.91 CHEK1 (0.52) CHEK1AURKALCKAURKBPTK6
SCHEMBL14537001 0.91 CHEK1 (0.52) CHEK1AURKALCKAURKBPTK6
SCHEMBL14538387 0.90 CHEK1 (0.52) CHEK1AURKALCKAURKBPTK6
SCHEMBL13955028 0.90 CHEK1 (0.52) CHEK1AURKALCKAURKBPTK6
SCHEMBL12473566 0.89 CHEK1 (0.70) CHEK1AURKALCKAURKBPTK6
SCHEMBL14536748 0.89 CHEK1 (0.51) CHEK1AURKALCKAURKBPTK6
SCHEMBL13955033 0.89 CHEK1 (0.51) CHEK1AURKALCKAURKBPTK6
SCHEMBL14536786 0.88 CHEK1 (0.50) CHEK1AURKALCKAURKBPTK6

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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
Send feedback