SCHEMBL29909287

SCHEMBL29909287

CN(c1cccc(-c2ccc(NC(=O)C(C)(C)C)cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CTPS1 P17812 2/20 0.36
CNR1 P21554 3/20 0.36
PLAU P00749 1/20 0.35
F10 P00742 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAP4K4 O95819 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL23576714 1.00 NPC1 (0.38) NPC1RAB9ATP53FNTAFNTB
SCHEMBL29909468 0.91 TP53 (0.47) NPC1RAB9ATP53FNTAFNTB
SCHEMBL23576656 0.91 TP53 (0.39) TP53FNTAFNTBCNR1PLAU
SCHEMBL23576968 0.91 TP53 (0.47) NPC1RAB9ATP53FNTAFNTB
SCHEMBL23601388 0.90 ATM (0.40) TP53FNTAFNTBCNR1PLAU
SCHEMBL29909202 0.90 ATM (0.40) TP53FNTAFNTBCNR1PLAU
SCHEMBL29909768 0.86 FNTA (0.40) TP53FNTAFNTBF10KDM4E
SCHEMBL23601235 0.86 FNTA (0.40) TP53FNTAFNTBF10KDM4E
SCHEMBL23601858 0.85 FNTA (0.39) TP53FNTAFNTBCNR1F10
SCHEMBL31229755 0.85 FNTA (0.39) TP53FNTAFNTBCNR1F10

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 2 patents. 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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed