SCHEMBL20373452

SCHEMBL20373452

CC(=N)/C(=C(/C)O)c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.40
▸ PDE5A O76074 1/20 0.38
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ INCENP Q9NQS7 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ NOX4 Q9NPH5 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 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
SCHEMBL20373449 0.88 SYK (0.38) KCNA5PDE5APDE1APDE1BPDE1C
SCHEMBL20373445 0.86 TLR7 (0.33) KCNA5PDE1APDE1BPDE1CSYK
SCHEMBL20373284 0.85 KDM4E (0.36) KCNA5PDE1APDE1BPDE1CSYK
SCHEMBL20373754 0.84 TLR7 (0.37) NOX4TLR7GABRA1GABRA5
SCHEMBL20373360 0.83 MET (0.40) KMT2A
SCHEMBL20373588 0.82 BRD4 (0.37) PDE5APDE1BNOX4TLR7SLC16A3
SCHEMBL20373357 0.81 NOX4 (0.43) NOX4CNR2
SCHEMBL20373361 0.81 AVPR2 (0.34) SYKNOX4TLR7GABRA1GABRA5
SCHEMBL20373288 0.79 S1PR3 (0.37) PDE5APDE1APDE1BPDE1CNOX4
SCHEMBL20373279 0.78 PDE1A (0.40) PDE1APDE1BPDE1CSYKAURKB

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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