SCHEMBL25517543

SCHEMBL25517543

Cc1nc(C(F)(F)F)c2n1CCNC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.33
▸ USP1 O94782 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ADRB2 P07550 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 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
SCHEMBL23264169 0.81 USP1 (0.33) USP1ALDH1A1
SCHEMBL23264140 0.80 USP1 (0.30) USP1
SCHEMBL25463483 0.80 ALDH1A1 (0.32) USP1ALDH1A1
SCHEMBL25464139 0.80 USP1 (0.30) USP1
SCHEMBL19705565 0.73 HTR2C (0.33) HTR2CHTR2AADRB2ADRA2AAXL
SCHEMBL22143277 0.71 USP1 (0.46) USP1ALDH1A1
SCHEMBL23264263 0.71 USP1 (0.42) USP1
SCHEMBL25728946 0.71 — —
SCHEMBL25718292 0.69 — —
SCHEMBL5273467 0.68 ADRB1 (0.30) —

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-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 — — WO disclosed
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