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SCHEMBL14538392

SCHEMBL14538392

Cn1cc(-c2cnc3c(Nc4cc5cccc(-n6cc(-c7cnc8c(Nc9ccc%10ncccc%10c9)nc(C9=CCCNC9)cn78)cn6)c5s4)nc(C4=CCCNC4)cn23)cn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.56
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ ERBB4 Q15303 2/20 0.41
▸ PTK6 Q13882 3/20 0.39
▸ AURKA O14965 7/20 0.36
▸ AURKB Q96GD4 5/20 0.36
▸ MET P08581 1/20 0.34
▸ AXL P30530 6/20 0.32
▸ TYRO3 Q06418 6/20 0.32
▸ MERTK Q12866 6/20 0.32

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
SCHEMBL12473344 0.88 CHEK1 (0.63) CHEK1EGFRERBB2ERBB4PTK6
SCHEMBL12473055 0.82 CHEK1 (0.69) CHEK1PTK6AURKAAURKBMET
SCHEMBL12473340 0.79 CHEK1 (0.71) CHEK1PTK6AURKAAURKBAXL
SCHEMBL14507696 0.76 CHEK1 (0.77) CHEK1EGFRPTK6AURKAAURKB
SCHEMBL14507562 0.75 CHEK1 (0.75) CHEK1PTK6AURKAAURKB
SCHEMBL12473567 0.75 CHEK1 (0.77) CHEK1PTK6AURKAAURKB
SCHEMBL8241428 0.73 CHEK1 (1.00) CHEK1EGFRPTK6AURKAAURKB
SCHEMBL12473572 0.72 CHEK1 (0.81) CHEK1EGFRPTK6AURKAAURKB
SCHEMBL12473566 0.72 CHEK1 (0.70) CHEK1PTK6AURKAAURKB
SCHEMBL14538628 0.72 CHEK1 (0.70) CHEK1PTK6AURKAAURKB

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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