SCHEMBL31521724

SCHEMBL31521724

NC(=O)C1(c2cc(-c3c[nH]c4c(N)cccc34)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.52
▸ DYRK1A Q13627 7/20 0.46
▸ GSK3B P49841 3/20 0.44
▸ CLK1 P49759 3/20 0.41
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ BTK Q06187 1/20 0.37
▸ ASH1L Q9NR48 2/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ PRKCI P41743 1/20 0.34

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
SCHEMBL21963598 0.73 GSK3B (0.54) IMPDH2DYRK1AGSK3B
SCHEMBL31521718 0.73 GSK3B (0.54) IMPDH2DYRK1AGSK3B
SCHEMBL27144244 0.71 OPRD1 (0.40) —
SCHEMBL31205220 0.70 KDM4C (0.34) BTKCCNCCDK8
SCHEMBL3500355 0.70 IMPDH2 (1.00) IMPDH2DYRK1AGSK3BCLK1CDK5
SCHEMBL12002836 0.67 SYK (0.34) —
SCHEMBL31473814 0.67 PARP1 (0.46) DYRK1AGSK3BCDK5BTKCDK8
SCHEMBL31205231 0.65 RAF1 (0.39) —
SCHEMBL29284164 0.65 KDM4E (0.43) CDC7
SCHEMBL12002704 0.65 MAP4K4 (0.37) —

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-113166094-B Compounds as protein kinase inhibitors and pharmaceutical compositions comprising the same 怡诺安有限公司 2025-05-06 — — CN disclosed
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