SCHEMBL14538666

SCHEMBL14538666

Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cn[nH]c4)cnc23)sc1S(=O)(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.52
▸ AURKB Q96GD4 11/20 0.47
▸ PTK6 Q13882 8/20 0.46
▸ LCK P06239 6/20 0.46
▸ KDR P35968 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ AURKA O14965 6/20 0.46

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
SCHEMBL14536748 0.94 CHEK1 (0.51) CHEK1AURKBPTK6LCKAURKA
SCHEMBL14538388 0.91 CHEK1 (0.56) CHEK1AURKBPTK6LCKKDR
SCHEMBL12473084 0.90 CHEK1 (0.66) CHEK1AURKBPTK6LCKKDR
SCHEMBL14508057 0.90 CHEK1 (0.65) CHEK1AURKBPTK6LCKKDR
SCHEMBL13955027 0.89 CHEK1 (0.54) CHEK1AURKBPTK6LCKKDR
SCHEMBL12473085 0.89 CHEK1 (0.66) CHEK1AURKBPTK6LCKKDR
SCHEMBL14536743 0.89 CHEK1 (0.54) CHEK1AURKBPTK6LCKKDR
SCHEMBL14537001 0.87 CHEK1 (0.52) CHEK1AURKBPTK6LCKKDR
SCHEMBL13955028 0.87 CHEK1 (0.52) CHEK1AURKBPTK6LCKKDR
SCHEMBL14538387 0.87 CHEK1 (0.52) CHEK1AURKBPTK6LCKKDR

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
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