SCHEMBL18818491

SCHEMBL18818491

OCCNc1ncc2c(n1)CNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK1 P28482 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ TYRO3 Q06418 2/20 0.34
▸ MERTK Q12866 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GAS6 Q14393 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ EIF2AK2 P19525 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12497252 0.87 HTR2C (0.46) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL18819044 0.81 ALDH1A1 (0.41) MAPK1GAAMEN1KMT2AALDH1A1
SCHEMBL18819049 0.81 MKNK1 (0.41) MKNK1MKNK2HRH4
SCHEMBL18818984 0.81 KCNH3 (0.38) MAPK1MEN1KMT2AMKNK1MKNK2
Hydrochloric Acid SCHEMBL28405121 0.80 KCNH3 (0.38) MAPK1MEN1KMT2AMKNK1MKNK2
Hydrochloric Acid SCHEMBL28410680 0.79 ALDH1A1 (0.40) MAPK1GAAMEN1KMT2AALDH1A1
SCHEMBL18818561 0.78 PIK3CD (0.36) CCNA2CDK2HRH4
SCHEMBL18818988 0.77 HRH4 (0.44) MAPK1TYRO3MERTKFLT3GAS6
SCHEMBL3279091 0.76 CCNA2 (0.35) CCNA2CDK2CCNA1AURKAMAPK1
SCHEMBL8195609 0.75 HTR2C (0.34) CCNA2CDK2MERTKPOLB

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
CN-107428762-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 — — CN disclosed
WO-2017071636-A1 PHTHALAZINE KETONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-05-04 — — WO disclosed
Send feedback