SCHEMBL31229686

SCHEMBL31229686

COc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(Cl)ccc34)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
EPHB4 P54760 2/20 0.39
TEK Q02763 2/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERN1 O75460 1/20 0.37
RIOK2 Q9BVS4 2/20 0.36
PSD A5PKW4 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
EGFR P00533 2/20 0.35
CSF1R P07333 2/20 0.35
ACLY P53396 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL23601031 1.00 KDR (0.39) KDREPHB4TEKHSD17B1HSD17B2
SCHEMBL23577736 0.88 SCN9A (0.35) KDREPHB4TEKCYP1A2PSD
SCHEMBL23576895 0.88 FNTA (0.37) CYP3A4CYP1A2FNTAFNTBCSF1R
SCHEMBL29909557 0.88 FNTA (0.37) CYP3A4CYP1A2FNTAFNTBCSF1R
SCHEMBL23577995 0.88 FNTA (0.37) CYP3A4CYP1A2PSDFNTAFNTB
SCHEMBL29909183 0.88 FNTA (0.34) PSDFNTAFNTB
SCHEMBL23577294 0.88 FNTA (0.34) PSDFNTAFNTB
SCHEMBL23577297 0.88 FNTA (0.34) PSDFNTAFNTB
SCHEMBL23601442 0.88 NPC1 (0.38) PSDFNTAFNTB
SCHEMBL31229464 0.88 NPC1 (0.38) PSDFNTAFNTB

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
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed