SCHEMBL24814641

SCHEMBL24814641

Cc1nnc2nc(N(CC(F)F)c3cc(F)cc(-c4ccc(C(C)(C)O)cc4)c3)c3c(F)cccc3n12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL30047933 1.00 TNKS (0.32) TNKSPARP1TNKS2CYP19A1CYP2C9
SCHEMBL23601783 0.84 PTAFR (0.30)
SCHEMBL23601784 0.83 PDE2A (0.31)
SCHEMBL23576980 0.82 TNIK (0.32)
SCHEMBL29909432 0.82 TNIK (0.32)
SCHEMBL29909140 0.82
SCHEMBL23577035 0.82
SCHEMBL29909062 0.82
SCHEMBL23601470 0.79 PTAFR (0.31)
SCHEMBL23601467 0.79

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-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed