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SCHEMBL13983918

SCHEMBL13983918

Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CCN3CCC(C)CC3)ns2)n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 19/20 0.75
▸ LCK P06239 3/20 0.71
▸ CHEK1 O14757 2/20 0.71
▸ KDR P35968 2/20 0.71
▸ IRAK4 Q9NWZ3 2/20 0.71
▸ RPS6KA3 P51812 1/20 0.71
▸ PTK6 Q13882 1/20 0.71
▸ FLT3 P36888 1/20 0.65
▸ EPHB4 P54760 1/20 0.65

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
SCHEMBL12588169 0.92 AURKB (0.88) AURKBLCKCHEK1KDRIRAK4
SCHEMBL13983920 0.92 AURKB (0.74) AURKBLCKCHEK1KDRIRAK4
SCHEMBL12588210 0.91 AURKB (0.85) AURKBLCKCHEK1KDRIRAK4
SCHEMBL12645936 0.90 AURKB (0.73) AURKBLCKCHEK1KDRIRAK4
SCHEMBL12588203 0.89 AURKB (0.85) AURKBLCKCHEK1KDRIRAK4
SCHEMBL12588204 0.89 AURKB (0.85) AURKBLCKCHEK1KDRIRAK4
SCHEMBL13617862 0.86 AURKB (1.00) AURKBLCKCHEK1KDRIRAK4
SCHEMBL12588168 0.85 AURKB (0.84) AURKBLCKCHEK1KDRIRAK4
SCHEMBL13154966 0.84 AURKB (0.85) AURKBLCKCHEK1KDRIRAK4
SCHEMBL13617863 0.84 AURKB (1.00) AURKBLCKCHEK1KDRIRAK4

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-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 — — WO disclosed
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