SCHEMBL4036357

SCHEMBL4036357

COc1ccc(Cn2c(=O)c3cncn3c3ccncc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.80
GABRA1 P14867 14/20 0.67
PDE1A P54750 4/20 0.50
PDE1B Q01064 4/20 0.50
PDE1C Q14123 4/20 0.50

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
SCHEMBL7225842 0.89 GABRA5 (1.00) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL17421084 0.81 GABRA5 (0.69) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL7979884 0.78 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL31475446 0.75 PDE5A (0.50) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL18185736 0.74 GABRA5 (0.60) GABRA5PDE1APDE1BPDE1C
SCHEMBL4042951 0.73 PDE5A (0.54) GABRA5PDE1APDE1BPDE1C
SCHEMBL14919807 0.73 GABRA5 (0.59) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL14195213 0.72 GABRA5 (0.49) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL19946112 0.72 AAK1 (0.56) GABRA5GABRA1PDE1APDE1BPDE1C
SCHEMBL14195200 0.72 GABRA5 (0.47) GABRA5GABRA1PDE1APDE1BPDE1C

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-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP disclosed