SCHEMBL9726830

SCHEMBL9726830

Cc1cc(Nc2ccc(C#N)cc2)c(N)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.49
TERT O14746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SLC2A1 P11166 1/20 0.43
ABCB1 P08183 5/20 0.43
GSK3B P49841 2/20 0.43
KCNH2 Q12809 2/20 0.43
ABCC3 O15438 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD1 P21728 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
SCHEMBL9726900 0.79 MERTK (0.51) ABCG2ALDH1A1GAALMNASMN1; SMN2
SCHEMBL18880697 0.79 CYP1A2 (0.56) ABCG2ALDH1A1KDM4EGAACYP1A2
SCHEMBL14946742 0.76 CYP2C9 (0.54) ABCG2TERTALDH1A1KDM4EGAA
SCHEMBL7356335 0.76 CYP1A2 (0.66) ABCG2TERTSLC2A1ABCB1CYP1A2
SCHEMBL25003855 0.75 IGF1R (0.46) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7019929 0.75 PARP14 (0.42) ALDH1A1KDM4EGAACYP1A2CYP3A4
SCHEMBL1624553 0.74 PDE4B (0.40) MAPKAPK2LMNAMEN1KMT2AL3MBTL1
SCHEMBL10839945 0.72 SLC2A1 (0.66) ABCG2TERTSLC2A1ABCB1GSK3B
SCHEMBL23221555 0.72 ABCG2 (0.66) ABCG2GAASLC2A1ABCB1CYP1A2
SCHEMBL6384780 0.72 CYP1A2 (0.38) KDM4EGAACYP1A2CYP2D6SMN1; SMN2

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 9 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-4963560-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1990-10-16 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0365140-A1 1,4-Dihydropyridine derivatives Pfizer Limited (GB) 1990-04-25 EP disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed