SCHEMBL14530724

SCHEMBL14530724

Cc1cc2c(Nc3nccn4c(-c5cn[nH]c5)cnc34)cccc2nn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 15/20 0.45
▸ AURKA O14965 6/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.45
▸ PTK6 Q13882 3/20 0.44
▸ LCK P06239 4/20 0.43
▸ CHEK1 O14757 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL8240923 0.83 AURKA (0.59) AURKBAURKAPTK6CHEK1FLT3
SCHEMBL14537082 0.79 AURKB (0.48) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL30138985 0.75 MAPKAPK5 (0.62) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL12473048 0.74 LCK (0.74) AURKBAURKAPTK6LCKCHEK1
SCHEMBL8246047 0.74 FYN (0.52) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14536960 0.73 MAPKAPK5 (0.62) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14507803 0.72 AURKB (0.68) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14536802 0.72 PTK6 (0.54) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14530178 0.72 AURKB (0.49) AURKBAURKAMAPKAPK5PTK6LCK
SCHEMBL14530726 0.71 PTK6 (0.56) AURKBAURKAMAPKAPK5PTK6LCK

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