SCHEMBL31138404

SCHEMBL31138404

Cn1cc(C(F)(F)F)nc1-c1ncc(COc2nc(Cl)nc3ccsc23)cc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ USP1 O94782 14/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MMP13 P45452 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL31138488 0.84 USP1 (0.33) USP1MMP13
SCHEMBL31138559 0.82 HDAC1 (0.33) USP1MMP13
SCHEMBL31138428 0.79 USP1 (0.37) USP1
SCHEMBL31138511 0.79 USP1 (0.32) USP1MMP13
SCHEMBL31138586 0.78 USP1 (0.49) USP1
SCHEMBL31138572 0.77 USP1 (0.34) USP1
SCHEMBL31138563 0.74 USP1 (0.34) USP1
SCHEMBL31138614 0.73 USP1 (0.35) USP1
SCHEMBL31254924 0.73 USP1 (0.37) USP1
SCHEMBL31138518 0.71 USP1 (0.38) 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-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
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