SCHEMBL25878312

SCHEMBL25878312

O=C(c1cccc(Nc2ccccc2)n1)N1CC2CN(C(=O)c3ccnc(Nc4ccccc4)n3)CC2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.49
AURKB Q96GD4 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CHEK1 O14757 2/20 0.49
PDPK1 O15530 2/20 0.49
CHEK2 O96017 2/20 0.49
PRKCG P05129 2/20 0.49
CDK1 P06493 2/20 0.49
PIM1 P11309 2/20 0.49
FGFR1 P11362 2/20 0.49
FGFR3 P22607 2/20 0.49
RPS6KB1 P23443 2/20 0.49
CDK2 P24941 2/20 0.49
MARK3 P27448 2/20 0.49
MAPK1 P28482 2/20 0.49
EPHA2 P29317 2/20 0.49
BLK P51451 2/20 0.49
RPS6KA3 P51812 2/20 0.49
CSNK2A1 P68400 2/20 0.49

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
SCHEMBL25878075 0.92 GSK3A (0.47) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL29466341 0.92 GSK3A (0.47) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL25312057 0.91 AURKA (0.45) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL29466326 0.89 MEN1 (0.49) AURKAAURKBRAB9AMAPK1MAPT
SCHEMBL25878262 0.89 MEN1 (0.49) AURKAAURKBRAB9AMAPK1MAPT
SCHEMBL25313124 0.89 GSK3A (0.45) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL25883212 0.88 AURKA (0.44) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL25882455 0.86 HRH4 (0.50) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL27180231 0.86 MEN1 (0.45) AURKAAURKBRAB9AMAPK1MAPT
SCHEMBL25314515 0.85 AURKA (0.47) AURKAAURKBNPC1RAB9ACHEK1

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
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed