SCHEMBL23320367

SCHEMBL23320367

O=C(NCCc1ccncc1)Nc1ccc2cn(-c3ccccc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.81
▸ PRMT3 O60678 1/20 0.58
▸ ROCK2 O75116 4/20 0.55
▸ ROCK1 Q13464 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.51
▸ PTPN7 P35236 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ IMPDH2 P12268 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43

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
SCHEMBL23320389 0.90 NAMPT (1.00) NAMPTROCK2ROCK1IMPDH2HTT
SCHEMBL24042588 0.78 NAMPT (0.77) NAMPTROCK2ROCK1SMN1; SMN2RAB9A
SCHEMBL23320366 0.78 NAMPT (0.66) NAMPTROCK2ROCK1KDM4ESMN1; SMN2
SCHEMBL30943229 0.76 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL30943213 0.76 NAMPT (0.75) NAMPT
SCHEMBL23320533 0.76 NAMPT (0.75) NAMPTROCK2ROCK1IMPDH2
SCHEMBL23320417 0.76 NAMPT (0.75) NAMPT
SCHEMBL23320451 0.76 NAMPT (0.69) NAMPT
SCHEMBL23320455 0.76 ROCK2 (0.50) NAMPTPRMT3ROCK2ROCK1KDM4E
SCHEMBL11615935 0.76 ROCK2 (0.79) NAMPTPRMT3ROCK2ROCK1KDM4E

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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