SCHEMBL14538361

SCHEMBL14538361

CC(C)Cc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 19/20 0.59
▸ AURKA O14965 3/20 0.59
▸ LCK P06239 3/20 0.56
▸ CHEK1 O14757 2/20 0.56
▸ RPS6KA3 P51812 2/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ EPHB4 P54760 1/20 0.56
▸ KDR P35968 1/20 0.54
▸ PTK6 Q13882 1/20 0.54
▸ IRAK4 Q9NWZ3 1/20 0.54

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
SCHEMBL12473048 0.85 LCK (0.74) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13155517 0.84 AURKB (0.74) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13155502 0.83 AURKB (0.74) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13155507 0.83 AURKB (0.74) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13155516 0.83 AURKB (0.74) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13954842 0.83 AURKB (0.56) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL12404520 0.83 AURKB (0.76) AURKBAURKACHEK1
SCHEMBL13155508 0.82 AURKB (0.64) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL12588164 0.82 AURKB (0.58) AURKBAURKALCKCHEK1RPS6KA3
SCHEMBL13955030 0.82 AURKB (0.57) AURKBAURKALCKCHEK1RPS6KA3

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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