SCHEMBL28629417

SCHEMBL28629417

CCN(Cc1ccccc1)C(=O)c1noc2cc(NC(=O)NCc3ccncc3)ccc12.O=C(NCc1ccncc1)Nc1ccc2cn(-c3cccc(OC(F)F)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.58
▸ IMPDH2 P12268 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL23320577 0.93 NAMPT (0.52) NAMPTIMPDH2ROCK2ROCK1ADORA3
SCHEMBL30943224 0.82 NAMPT (0.84) NAMPTIMPDH2ROCK2ROCK1
SCHEMBL24042554 0.82 NAMPT (0.84) NAMPTIMPDH2ROCK2ROCK1
SCHEMBL30943229 0.82 NAMPT (0.75) NAMPTIMPDH2ROCK2ROCK1
SCHEMBL23320533 0.82 NAMPT (0.75) NAMPTIMPDH2ROCK2ROCK1
SCHEMBL23320444 0.76 NAMPT (1.00) NAMPTPRMT3RAB9A
SCHEMBL24042588 0.74 NAMPT (0.77) NAMPTROCK2ROCK1RAB9A
SCHEMBL23320389 0.73 NAMPT (1.00) NAMPTIMPDH2ROCK2ROCK1ADORA3
SCHEMBL23320417 0.69 NAMPT (0.75) NAMPT
SCHEMBL30943213 0.69 NAMPT (0.75) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654608-A Condensed ring compounds having urea structure 桑福德伯纳姆普利斯医学发现研究所 2021-04-13 — — CN claimed
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
CN-112654608-A Condensed ring compounds having urea structure 桑福德伯纳姆普利斯医学发现研究所 2021-04-13 — — CN disclosed
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