SCHEMBL31160512

SCHEMBL31160512

Cc1ccc(-c2cc(-c3ccc(F)cc3F)cc3c2CNC3=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.48
▸ PDE3A Q14432 3/20 0.48
▸ PIK3CD O00329 7/20 0.48
▸ PIK3CB P42338 7/20 0.48
▸ GRM2 Q14416 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ PIK3CA P42336 6/20 0.42
▸ PIK3CG P48736 3/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ KDR P35968 2/20 0.39
▸ BTK Q06187 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL31160519 0.84 PIK3CD (0.46) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL31160522 0.81 PDE3B (0.46) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL34460966 0.81 GSK3B (0.48) PDE3BPDE3APIK3CDGRM2TDO2
SCHEMBL31160527 0.76 GRM2 (0.47) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL31160529 0.76 PIK3CD (0.42) PIK3CDPIK3CBGRM2PIK3CAPIK3CG
SCHEMBL34461043 0.75 CLK4 (0.46) PDE3BPDE3AGRM2TDO2DAPK3
SCHEMBL31160535 0.74 GRM2 (0.45) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL31160524 0.74 PIK3CD (0.45) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL31160541 0.73 GRM2 (0.44) PDE3BPDE3APIK3CDPIK3CBGRM2
SCHEMBL30915406 0.72 TDP2 (0.59) GRM2DAPK3NTRK1PIM1FLT3

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-4673136-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 Vanderbilt University (US) 2026-01-07 — — EP claimed
WO-2024182692-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY (US) 2024-09-06 — — WO claimed
Send feedback