SCHEMBL31514965

SCHEMBL31514965

CC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.68
▸ PRMT3 O60678 5/20 0.60
▸ ROCK2 O75116 6/20 0.57
▸ ROCK1 Q13464 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TNNI3 P19429 1/20 0.56
▸ TNNT2 P45379 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ TNNC1 P63316 1/20 0.56
▸ RUNX1 Q01196 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CBFB Q13951 1/20 0.56
▸ NOTUM Q6P988 2/20 0.55
▸ MAPK10 P53779 1/20 0.53

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
SCHEMBL2570139 1.00 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30645380 1.00 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30579695 0.85 IMPDH2 (0.72) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL20262924 0.84 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30176801 0.84 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL8577441 0.84 MEN1 (0.68) ROCK2ROCK1KDM4EMEN1NPC1
SCHEMBL19900450 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1
SCHEMBL31235417 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1
SCHEMBL19860057 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL12059122 0.83 IMPDH2 (0.63) IMPDH2PRMT3ROCK2ROCK1NOTUM

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
CN-119565518-A Preparation and synthesis method of amino-substituted nitrogen-containing heterocycle 上海罕道医药科技有限公司 2025-03-07 — — CN claimed
CN-119565518-A Preparation and synthesis method of amino-substituted nitrogen-containing heterocycle 上海罕道医药科技有限公司 2025-03-07 — — CN disclosed
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