SCHEMBL31455435

SCHEMBL31455435

CC1(c2ccc(N)cc2)CNC1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.61
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11A1 P05108 1/20 0.41
TBXAS1 P24557 1/20 0.41
PMP22 Q01453 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL27035682 0.85 CYP19A1 (0.57) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL19074638 0.76 CYP19A1 (1.00) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL26113825 0.73 CYP19A1 (0.43) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL30955766 0.73 CYP19A1 (0.70) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL19585699 0.73 CYP19A1 (0.70) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL30828418 0.73 CYP19A1 (0.70) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL6397534 0.73 CYP19A1 (0.37) CYP19A1
SCHEMBL27035567 0.70 CYP19A1 (0.49) CYP19A1CYP3A4CYP17A1CYP11A1TBXAS1
SCHEMBL3037963 0.69 CYP19A1 (0.33) CYP19A1
SCHEMBL31455157 0.69 CYP2C19 (0.47) PMP22PDE4DPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed