SCHEMBL12820071

SCHEMBL12820071

CCc1ncc(Cn2ccnc2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.48
CYP11B2 P19099 10/20 0.48
CYP19A1 P11511 2/20 0.42

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
SCHEMBL12303953 0.81 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL14451615 0.77 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1
SCHEMBL28869336 0.75 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1
SCHEMBL14414468 0.74 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1
SCHEMBL9610932 0.72 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1
SCHEMBL12332513 0.72 KIF11 (0.36)
SCHEMBL28537887 0.71 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1
SCHEMBL28101470 0.67 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1
SCHEMBL11919267 0.67 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1
SCHEMBL306338 0.67 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1

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-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed