SCHEMBL29909770

SCHEMBL29909770

CN(c1cccc(-c2ccc(N3CCCC3=O)cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
F10 P00742 2/20 0.37
PDE10A Q9Y233 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
MAT2A P31153 4/20 0.33
PRMT5 O14744 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TP53 P04637 1/20 0.33
SYK P43405 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
SCHEMBL23577711 1.00 TSHR (0.39) TSHRF10PDE10AMAPTLMNA
SCHEMBL23601269 0.98 F10 (0.40) TSHRF10PDE10AMAPTLMNA
SCHEMBL29909485 0.95 MAT2A (0.34) TSHRF10MAPTMAT2APRMT5
SCHEMBL23601797 0.95 MAT2A (0.34) TSHRF10MAPTMAT2APRMT5
SCHEMBL23600544 0.87 ENPP2 (0.36) MAPTMAT2APRMT5FNTAFNTB
SCHEMBL24721684 0.87 FNTA (0.35) MAPTMAT2APRMT5FNTAFNTB
SCHEMBL29909756 0.86 GRM5 (0.34) MAT2APRMT5FNTAFNTBCYP1A2
SCHEMBL23578111 0.86 GRM5 (0.34) MAT2APRMT5FNTAFNTBCYP1A2
SCHEMBL23601235 0.85 FNTA (0.40) F10MAPTMAT2APRMT5FNTA
SCHEMBL29909768 0.85 FNTA (0.40) F10MAPTMAT2APRMT5FNTA

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