SCHEMBL23601548

SCHEMBL23601548

Cc1cccc2c1OCCN2c1nc2nnc(C)n2c2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.35
DHODH Q02127 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTAFR P25105 1/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CA P42336 1/20 0.31
MAPT P10636 2/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL23601077 0.95 DHODH (0.33) PIK3CDDHODHPTAFRMAPT
SCHEMBL23576677 0.91 PIK3CA (0.32) PTAFRPIK3CBPIK3CGPIK3CA
SCHEMBL29909207 0.91 PIK3CA (0.32) PTAFRPIK3CBPIK3CGPIK3CA
SCHEMBL23601076 0.85 MAPT (0.39) PIK3CDDHODHCYP17A1CYP1A2PIK3CB
SCHEMBL29909613 0.84 PTAFR (0.33) PTAFR
SCHEMBL24721319 0.84 PTAFR (0.33) PTAFR
SCHEMBL24721318 0.84
SCHEMBL23601078 0.82 DHODH (0.39) DHODHPTAFRMAPT
SCHEMBL23578193 0.82 PTAFR (0.30) PTAFR
SCHEMBL23601546 0.82

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed