SCHEMBL9588591

SCHEMBL9588591

Cc1ccc2[nH]c(-c3nnn[nH]3)nc2c1CP(N)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.32
▸ CHEK1 O14757 1/20 0.31
▸ CBFB Q13951 1/20 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
SCHEMBL9587918 0.91 PGK1 (0.33) GRIN2BCHEK1CBFB
SCHEMBL9589939 0.84 GRIN2B (0.32) GRIN2BCBFB
SCHEMBL9589684 0.80 PTGDR2 (0.39) GRIN2B
SCHEMBL9589444 0.79 PARP1 (0.37) GRIN2B
SCHEMBL9589691 0.77 CBFB (0.33) GRIN2BCBFB
SCHEMBL9588523 0.76 CBFB (0.38) CBFB
SCHEMBL9588138 0.73 PARP1 (0.36) GRIN2B
SCHEMBL9589401 0.72 PARP1 (0.36) —
SCHEMBL9588065 0.71 GRIN2B (0.43) GRIN2B
SCHEMBL9590336 0.71 PARP1 (0.35) GRIN2B

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
US-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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