SCHEMBL30296372

SCHEMBL30296372

Nc1cc(Cl)c(-c2cncc(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.48
ADORA2B P29275 2/20 0.48
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 5/20 0.41
CYP17A1 P05093 2/20 0.41
CYP3A4 P08684 1/20 0.41
GCK P35557 1/20 0.35
PIK3CA P42336 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ADORA2A P29274 1/20 0.34
ABL1 P00519 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP19A1 P11511 1/20 0.33
PIK3CD O00329 1/20 0.33
INPPL1 O15357 2/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL26091993 1.00 NQO2 (0.48) NQO2ADORA2BCYP11B2CYP11B1CYP17A1
SCHEMBL26469046 0.80 CYP11B2 (0.43) NQO2ADORA2BCYP11B2CYP11B1CYP17A1
SCHEMBL30296491 0.80 CYP11B2 (0.43) NQO2ADORA2BCYP11B2CYP11B1CYP17A1
SCHEMBL30296225 0.73 CYP11B2 (0.45) ADORA2BCYP11B2CYP11B1CYP3A4ALOX5AP
SCHEMBL26922914 0.73 CYP11B2 (0.44) NQO2ADORA2BCYP11B2CYP11B1CYP17A1
SCHEMBL26459039 0.73 CYP11B2 (0.45) ADORA2BCYP11B2CYP11B1CYP3A4ALOX5AP
SCHEMBL31512065 0.73 CYP11B1 (0.50) CYP11B2CYP11B1ALOX5APFEN1PIK3CD
SCHEMBL15301520 0.72 CYP11B2 (0.39) NQO2ADORA2BCYP11B2CYP11B1CYP17A1
SCHEMBL16826172 0.70 PIK3CD (0.51) NQO2ADORA2BCYP11B2CYP11B1FEN1
SCHEMBL16826128 0.70 PIM1 (0.48) NQO2ADORA2BALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 EP disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 CN disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed