SCHEMBL20373766

SCHEMBL20373766

COc1cc2c(ccc(=O)n2Cc2ncccc2F)cc1/C(C(C)=N)=C(\C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ SCN9A Q15858 9/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HSD17B13 Q7Z5P4 2/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL20373274 0.79 PDE5A (0.38) PDE5A
SCHEMBL20373789 0.78 PDE10A (0.41) —
SCHEMBL20373449 0.74 SYK (0.38) PDE5AGRIN1GRIN2B
SCHEMBL20373279 0.73 PDE1A (0.40) —
SCHEMBL20373452 0.73 KCNA5 (0.40) PDE5A
SCHEMBL20373445 0.73 TLR7 (0.33) GRIN1GRIN2B
SCHEMBL18326387 0.73 BRD4 (0.46) SCN9A
SCHEMBL20373756 0.73 BRD4 (0.36) —
SCHEMBL20373284 0.73 KDM4E (0.36) —
SCHEMBL20373754 0.72 TLR7 (0.37) GRIN1GRIN2B

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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