SCHEMBL30279953

SCHEMBL30279953

N#Cc1cnn2c(Nc3ccc([N+](=O)[O-])cn3)cc(Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.51
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ MAPT P10636 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ CSNK2A2 P19784 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
SCHEMBL19742461 1.00 CDK2 (0.51) CDK2MEN1KMT2AMAPTRAB9A
SCHEMBL30279899 0.83 MEN1 (0.44) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL19742544 0.81 CDK2 (0.53) CDK2CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL30279929 0.81 CDK2 (0.53) CDK2CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL19742549 0.78 CDK2 (0.57) CDK2ALDH1A1CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL30279917 0.78 CDK2 (0.57) CDK2ALDH1A1CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL19742519 0.77 CDK2 (0.47) CDK2ALDH1A1CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL19742795 0.75 CDK2 (0.50) CDK2CSNK2A1MAPKAPK2CSNK2A2
SCHEMBL19742687 0.73 KCNH2 (0.49) CDK2CSNK2A1CSNK2A2
SCHEMBL29355749 0.72 CDK2 (0.46) CDK2ALDH1A1CSNK2A1CSNK2A2

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
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 — — CN disclosed
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