SCHEMBL7400875

SCHEMBL7400875

COc1ccc(-c2cn3c(=O)[nH]c4cscc4c3n2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 4/20 0.43
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA2 P47869 2/20 0.43
PDGFRB P09619 1/20 0.40
AMY1A P0DUB6 3/20 0.39
METAP2 P50579 2/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL7399914 0.84 PARP15 (0.45) GABRA3GABRA1GABRA5GABRA2PDGFRB
SCHEMBL7407573 0.83 ACHE (0.46) GABRA3GABRA1GABRA5GABRA2PDGFRB
SCHEMBL7403950 0.83 GABRA1 (0.48) GABRA1GABRA2
SCHEMBL7402302 0.79 GABRA3 (0.43) GABRA3GABRA1GABRA5GABRA2PDGFRB
SCHEMBL7374589 0.79 GABRA3 (0.41) GABRA3GABRA1GABRA5GABRA2PDGFRB
SCHEMBL8103380 0.76 GABRA3 (0.56) GABRA3GABRA1GABRA5GABRA2
SCHEMBL7406490 0.75 ACHE (0.46) GABRA3GABRA1GABRA5GABRA2HAVCR2
SCHEMBL9001271 0.75 GABRA3 (0.61) GABRA3GABRA1GABRA5GABRA2
SCHEMBL7404911 0.73 MEN1 (0.38) GABRA3GABRA1GABRA5GABRA2METAP2
SCHEMBL7404991 0.71 GABRA3 (0.43) GABRA3GABRA1GABRA5GABRA2PDGFRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013650-A VETERINARY MEDICINE NEUROGEN CORPORATION (US) 2000-01-11 US claimed
WO-1994026742-A1 CERTAIN ARYL FUSED IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO claimed
US-5212310-A Certain aryl fused imidazopyrimidines; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1993-05-18 US claimed
US-6013650-A VETERINARY MEDICINE NEUROGEN CORPORATION (US) 2000-01-11 US disclosed
US-5625063-A Certain aryl fused imidazaopyrimidines; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1997-04-29 US disclosed
WO-1994026742-A1 CERTAIN ARYL FUSED IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 WO disclosed
US-5212310-A Certain aryl fused imidazopyrimidines; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1993-05-18 US disclosed