SCHEMBL14530723

SCHEMBL14530723

CN(C)CCOc1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 2/20 0.55
▸ AURKB Q96GD4 6/20 0.54
▸ AURKA O14965 4/20 0.54
▸ PTK6 Q13882 5/20 0.49
▸ LCK P06239 3/20 0.41
▸ SYK P43405 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ TTK P33981 1/20 0.38
▸ PLK1 P53350 1/20 0.38

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
SCHEMBL8245951 0.84 AURKA (0.65) MAPKAPK5AURKBAURKALCKSYK
SCHEMBL14536960 0.80 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL30138985 0.80 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL12473561 0.80 AURKA (0.70) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL1674068 0.77 MAPKAPK5 (0.62) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL1674418 0.77 MAPKAPK5 (0.73) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL1674071 0.77 MAPKAPK5 (0.70) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL14530402 0.77 MAPKAPK5 (0.58) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL8246047 0.77 FYN (0.52) MAPKAPK5AURKBAURKAPTK6LCK
SCHEMBL15063040 0.76 MAPKAPK5 (0.69) MAPKAPK5AURKBAURKAPTK6LCK

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 2 patents. 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
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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