SCHEMBL23320396

SCHEMBL23320396

COCCOc1ccccc1-n1cc2ccc(N(Cc3ccncc3)C(N)=O)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.36
▸ QPCT Q16769 8/20 0.36
▸ SCN9A Q15858 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADRA2B P18089 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL23320566 0.92 NAMPT (0.35) NAMPTQPCTSCN9AADORA1ADORA3
SCHEMBL23320568 0.83 SCN9A (0.33) NAMPTSCN9AADORA1ADORA3POLB
SCHEMBL23320352 0.79 NAMPT (0.42) NAMPTQPCTMAPK14ADORA1ADORA3
SCHEMBL30943200 0.76 NAMPT (0.67) NAMPT
SCHEMBL24042559 0.76 NAMPT (0.67) NAMPT
SCHEMBL23320370 0.74 KDM4E (0.43) SCN9AADORA1ADORA3MAPTADORA2A
SCHEMBL23320407 0.72 FBP1 (0.38) ADORA1ADORA3MAPTADORA2A
SCHEMBL23320379 0.70 NAMPT (0.41) NAMPTMAPK14ADORA1ADORA3MAPT
SCHEMBL23320561 0.68 ALDH1A1 (0.39) QPCTPOLBMAPT
SCHEMBL31691593 0.67 POLB (0.37) SCN9AADORA1ADORA3POLBADORA2A

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