SCHEMBL23601376

SCHEMBL23601376

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc(=N)n(C=N)c2cc(F)c(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PDE5A O76074 1/20 0.30
ICMT O60725 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
SCHEMBL23600472 0.84 KDM4E (0.34) DHODH
SCHEMBL29909506 0.79 ABCG2 (0.35) DHODHABCG2PDE5A
SCHEMBL23577238 0.79 ABCG2 (0.35) DHODHABCG2PDE5A
SCHEMBL23601374 0.76 DHODH (0.37) DHODHF10
SCHEMBL23601707 0.76 PDE5A (0.42) DHODHABCG2PDE5A
SCHEMBL23601250 0.74 DHODH (0.33) DHODHABCG2PDE5A
SCHEMBL23601857 0.74 DHODH (0.35) DHODHABCG2PDE5A
SCHEMBL23576887 0.72 DHODH (0.40) DHODHABCG2ICMT
SCHEMBL29909316 0.72 DHODH (0.40) DHODHABCG2ICMT
SCHEMBL23577282 0.72 ABCG2 (0.33) DHODHABCG2

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