SCHEMBL29909362

SCHEMBL29909362

CN(c1nc(-c2ccc(C(C)(C)C)cc2)cs1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ENPP2 Q13822 11/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM1 Q13255 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CCR4 P51679 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
SCHEMBL23577568 0.83 FNTA (0.39) FNTAFNTB
SCHEMBL29909757 0.83 FNTA (0.38) FNTAFNTBMAPT
SCHEMBL23600528 0.83 FNTA (0.38) FNTAFNTBMAPT
SCHEMBL29909922 0.80 FNTA (0.41) FNTAFNTBMAPT
SCHEMBL23576821 0.80 FNTA (0.35) FNTAFNTBMEN1KMT2A
SCHEMBL29909627 0.80 FNTA (0.35) FNTAFNTBMEN1KMT2A
SCHEMBL23577059 0.80 FNTA (0.41) FNTAFNTBMAPT
SCHEMBL23601221 0.79 FNTA (0.37) NPC1RAB9AFNTAFNTB
SCHEMBL23577584 0.78 FNTA (0.34) FNTAFNTBMEN1KMT2A
SCHEMBL23601759 0.78 FNTA (0.34) FNTAFNTBMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed