SCHEMBL7270867

SCHEMBL7270867

COc1ccc2cc(-c3cnccn3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
HPGD P15428 1/20 0.46
ADORA1 P30542 1/20 0.42
CYP19A1 P11511 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ABL1 P00519 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
CYP11B2 P19099 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP11B1 P15538 2/20 0.38

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
SCHEMBL15344999 0.80 HPGD (0.46) HPGDADORA1ABL1PDGFRBPDGFRA
SCHEMBL7272115 0.80 HPGD (0.43) HPGDADORA1CYP19A1CYP2D6CYP2C9
SCHEMBL7264558 0.78 CYP11B2 (0.64) PIK3CDPIK3CAPI4KAPI4KBCYP19A1
SCHEMBL15341950 0.77 HPGD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2405218 0.77 CYP19A1 (0.54) PIK3CACYP19A1CYP2D6CYP2C9CYP2C19
SCHEMBL31140248 0.77 CYP19A1 (0.54) PIK3CACYP19A1CYP2D6CYP2C9CYP2C19
SCHEMBL7270915 0.74 ADORA1 (0.42) HPGDADORA1CYP19A1PDGFRBPDGFRA
SCHEMBL7272193 0.74 PDGFRB (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12695592 0.72 BACE1 (0.57) HPGDADORA1CYP19A1PDGFRBPDGFRA
SCHEMBL16573997 0.72 PDGFRB (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4710507-A Quinolone inotropic agents PFIZER INC. (US) 1987-12-01 US disclosed
EP-0148623-A2 Quinolone inotropic agents Pfizer Limited (GB) 1985-07-17 EP disclosed