SCHEMBL23320577

SCHEMBL23320577

CCN(Cc1ccccc1)C(=O)c1noc2cc(NC(=O)NCc3ccncc3)ccc12.NC(=O)N(Cc1ccncc1)c1ccc2cn(-c3cccc(OC(F)F)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.52
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL28629417 0.93 NAMPT (0.58) NAMPTROCK2ROCK1IMPDH2ADORA3
SCHEMBL30943224 0.78 NAMPT (0.84) NAMPTROCK2ROCK1IMPDH2
SCHEMBL24042554 0.78 NAMPT (0.84) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943229 0.76 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL23320533 0.76 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL23320444 0.71 NAMPT (1.00) NAMPT
SCHEMBL23320352 0.70 NAMPT (0.42) NAMPTROCK2ROCK1ADORA3ADORA1
SCHEMBL24042588 0.69 NAMPT (0.77) NAMPTROCK2ROCK1
SCHEMBL23320389 0.68 NAMPT (1.00) NAMPTROCK2ROCK1IMPDH2ADORA3
SCHEMBL23320379 0.65 NAMPT (0.41) NAMPTROCK2ROCK1ADORA3ADORA1

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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
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