SCHEMBL29909419

SCHEMBL29909419

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1F)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
OPRD1 P41143 4/20 0.32
MAT2A P31153 5/20 0.32
PTAFR P25105 2/20 0.32
OPRM1 P35372 1/20 0.31
PRMT5 O14744 2/20 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
SCHEMBL23577547 1.00 FNTA (0.37) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL23578280 0.88 FNTA (0.32) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL31169437 0.88 FNTA (0.32) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL23601309 0.86 MAT2A (0.33) FNTAFNTBMAT2A
SCHEMBL29909627 0.85 FNTA (0.35) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL23576821 0.85 FNTA (0.35) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL29909086 0.84 FNTA (0.34) FNTAFNTBCNR1CNR2MAT2A
SCHEMBL23577584 0.84 FNTA (0.34) FNTAFNTBCNR1CNR2MAT2A
SCHEMBL23577059 0.82 FNTA (0.41) FNTAFNTBCNR1CNR2CYP1A2
SCHEMBL29909922 0.82 FNTA (0.41) FNTAFNTBCNR1CNR2CYP1A2

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