SCHEMBL24005903

SCHEMBL24005903

Cc1cc2cc[nH]c2nc1OC1CNC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.38
▸ PRKCZ Q05513 1/20 0.35
▸ JAK3 P52333 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 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
SCHEMBL24005911 0.89 ROCK1 (0.46) ROCK1PRKCZCHRM1SLC6A2
SCHEMBL24005740 0.88 JAK3 (0.41) ROCK1PRKCZJAK3
SCHEMBL24005751 0.84 TTK (0.40) JAK3
SCHEMBL24005753 0.83 PIK3CD (0.36) JAK3SLC6A2SLC6A4SLC6A3
SCHEMBL25613079 0.82 FEN1 (0.34) ROCK1PRKCZJAK3CHRM1SLC6A2
SCHEMBL24005535 0.76 BRD4 (0.43) —
SCHEMBL25613074 0.72 PRKCZ (0.44) ROCK1PRKCZCHRM1
SCHEMBL24005759 0.72 FGFR1 (0.39) —
SCHEMBL25613062 0.70 JAK3 (0.39) ROCK1PRKCZJAK3
SCHEMBL24005743 0.69 CDK8 (0.40) ROCK1

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 — — WO disclosed
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