SCHEMBL9726832

SCHEMBL9726832

Cc1nc2ccncc2n1-c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
AOC3 Q16853 10/20 0.47
KCNH2 Q12809 1/20 0.47
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
USP14 P54578 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7491666 0.89 CYP19A1 (0.49) CYP19A1PIK3CDPIK3CA
SCHEMBL21235216 0.81 AOC3 (0.58) AOC3KCNH2
SCHEMBL540942 0.81 MAPK1 (0.68) PIK3CDPIK3CAMAPK1HTT
SCHEMBL9611693 0.80 MAPK1 (0.67) AOC3KCNH2MAPK1HTT
SCHEMBL16729279 0.77 CYP19A1 (0.56) CYP19A1AOC3KCNH2USP14
SCHEMBL16720755 0.74 CYP19A1 (0.49) CYP19A1PIK3CDPIK3CAUSP14MAPK1
SCHEMBL9727056 0.74 MAPK1 (0.40) CYP19A1PIK3CDPIK3CAMAPK1HTT
SCHEMBL9727037 0.74 CYP19A1 (0.46) CYP19A1USP14
SCHEMBL22141877 0.73 AOC3 (0.43) CYP19A1AOC3KCNH2
SCHEMBL19142835 0.72 MAPK1 (0.47) AOC3KCNH2MAPK1HTT

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-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed