SCHEMBL30943229

SCHEMBL30943229

O=C(NCc1ccncc1)Nc1ccc2cn(-c3cccc(OC(F)F)c3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.75
▸ ROCK2 O75116 3/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ IMPDH2 P12268 1/20 0.46

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
SCHEMBL23320533 1.00 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL24042588 0.89 NAMPT (0.77) NAMPTROCK2ROCK1
SCHEMBL23320389 0.86 NAMPT (1.00) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943213 0.82 NAMPT (0.75) NAMPT
SCHEMBL23320417 0.82 NAMPT (0.75) NAMPT
SCHEMBL28629417 0.82 NAMPT (0.58) NAMPTROCK2ROCK1IMPDH2
SCHEMBL23320367 0.76 NAMPT (0.81) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943200 0.74 NAMPT (0.67) NAMPTIMPDH2
SCHEMBL24042559 0.74 NAMPT (0.67) NAMPTIMPDH2
SCHEMBL11713731 0.71 IMPDH2 (0.74) NAMPTROCK2ROCK1IMPDH2

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
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
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