SCHEMBL21863370

SCHEMBL21863370

Cc1cc(C2CC2)n2nc(C)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ PDE2A O00408 11/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PIK3CG P48736 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ USP2 O75604 1/20 0.36

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
SCHEMBL21849087 0.82 KDM4E (0.59) KDM4EPDE2ATSHRMGLLPLAT
SCHEMBL21816299 0.80 MGLL (0.46) KDM4ETSHRMGLLPLATUSP2
SCHEMBL16421204 0.76 KDM4E (0.50) KDM4EPDE2ATSHR
SCHEMBL21849273 0.76 KDM4E (0.33) KDM4EPDE2ATSHRMGLLPLAT
SCHEMBL18781146 0.73 PDE2A (0.39) KDM4EPDE2AMAPT
SCHEMBL5270607 0.72 PIK3CG (0.68) KDM4ETSHRPIK3CGMAPT
SCHEMBL18780810 0.72 PDE2A (0.38) KDM4EPDE2AMAPT
SCHEMBL1934247 0.71 RAB9A (0.46) KDM4E
SCHEMBL737903 0.71 SMN1; SMN2 (0.35) KDM4EPDE2ATSHRPLAT
SCHEMBL12305595 0.70 PDE2A (0.43) KDM4EPDE2ATSHRPIK3CGMAPT

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
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
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