SCHEMBL21613440

SCHEMBL21613440

CC(C)=Cc1ncc(-c2ccc(F)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ GRIN2B Q13224 7/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GCGR P47871 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ FYN P06241 2/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL21613442 0.84 PSMB5 (0.44) PDGFRBPDGFRAGRIN2BMAP4K4
SCHEMBL21613456 0.79 PDGFRB (0.40) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL21613439 0.77 MAP4K4 (0.42) GRIN2BGRIN1MAP4K4EGLN1
SCHEMBL21613463 0.75 GRIN2B (0.41) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL17016707 0.75 MAP4K4 (0.44) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL21613520 0.72 GRIN2B (0.41) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL21613474 0.71 GRIN2B (0.40) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL21613466 0.71 GRIN2B (0.40) PDGFRBPDGFRAGRIN2BGRIN1MAP4K4
SCHEMBL20049775 0.70 NPC1 (0.42) PDGFRBPDGFRAGRIN2BGRIN1CHRNA7
SCHEMBL25583779 0.69 CHRNA7 (0.49) PDGFRBPDGFRAGRIN2BFYNCHRNA7

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 — — EP disclosed
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