SCHEMBL24288100

SCHEMBL24288100

Cc1nc(NCC2CCCN(C)C2)ncc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 0.47
▸ HRH4 Q9H3N8 5/20 0.41
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ CCNT1 O60563 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL24288237 0.88 PRKCQ (0.48) PRKCQHRH4SCN9A
SCHEMBL27095173 0.84 PRKCQ (0.50) PRKCQHRH4CCNE1CDK2
Hydrochloric Acid SCHEMBL30838083 0.84 PRKCQ (0.49) PRKCQHRH4
Hydrochloric Acid SCHEMBL30838056 0.84 PRKCQ (0.49) PRKCQHRH4CCNE1CDK2
SCHEMBL24288090 0.81 HRH4 (0.45) PRKCQHRH4CHRM3CCNT1CDK9
Hydrochloric Acid SCHEMBL30838015 0.80 HRH4 (0.45) PRKCQHRH4CHRM3CCNT1CDK9
Formic Acid SCHEMBL30838073 0.80 PRKCQ (0.41) PRKCQHRH4
SCHEMBL24288241 0.77 PRKCQ (0.39) PRKCQHRH4
Formic Acid SCHEMBL30838087 0.74 HRH4 (0.41) HRH4
Hydrochloric Acid SCHEMBL30838055 0.73 PRKCQ (0.40) PRKCQ

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-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 — — WO disclosed
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