SCHEMBL30032008

SCHEMBL30032008

O=C1CN(Cc2ccc3c(c2)CCCn2cc(C(F)(F)F)nc2-3)c2nc(Cl)ncc2N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 6/20 0.33
▸ JUN P05412 4/20 0.32
▸ NFKB1 P19838 4/20 0.32
▸ NFKB2 Q00653 4/20 0.32
▸ RELA Q04206 4/20 0.32
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL27088164 1.00 USP1 (0.33) USP1JUNNFKB1NFKB2RELA
SCHEMBL30034048 0.84 USP1 (0.36) USP1
SCHEMBL27088240 0.84 USP1 (0.36) USP1
SCHEMBL29296024 0.80 USP1 (0.52) USP1
SCHEMBL30782773 0.80 USP1 (0.52) USP1
SCHEMBL29296052 0.80 USP1 (0.40) USP1
SCHEMBL29296058 0.79 USP1 (0.41) USP1
SCHEMBL29296065 0.78 USP1 (0.34) USP1
SCHEMBL30693863 0.78 USP1 (0.45) USP1
SCHEMBL27088186 0.78 USP1 (0.45) USP1

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-2022214053-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR 海南耀臻生物医药科技有限公司 2022-10-13 — — WO disclosed
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