SCHEMBL25322726

SCHEMBL25322726

O=C(O)C(=O)Nc1cnc2c(c1)C(=O)NCC2.[Pd]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDC7 O00311 4/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GRM5 P41594 1/20 0.32

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
SCHEMBL25321038 0.99 PARP1 (0.36) PARP1GSK3BCDC7GPR35NTRK1
SCHEMBL25322845 0.85 GPR35 (0.37) GSK3BGPR35MKNK1
SCHEMBL30551433 0.85 GPR35 (0.37) GSK3BGPR35MKNK1
SCHEMBL25322394 0.79 ALDH1A1 (0.41) PIM1CYP1A2GRM5
SCHEMBL25908287 0.77 GRM5 (0.39) GRM5
SCHEMBL25324444 0.75 CYP1A2 (0.38) CYP1A2GRM5
SCHEMBL30285592 0.71 PRMT5 (0.44) PARP1CDC7BRD4MKNK1PARP10
SCHEMBL30285390 0.70 MAPK1 (0.50) CDC7PIM1
SCHEMBL12457586 0.69 PARP10 (0.51) PARP1CDC7PARP10GRM5
SCHEMBL5863725 0.69 PARP10 (0.51) PARP1GSK3BCDC7NTRK1MKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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