SCHEMBL22043761

SCHEMBL22043761

N/C=N\N=C(/N)c1cc(N)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.33
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 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
SCHEMBL22043789 0.83 HCAR1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22044467 0.81 TAS1R3 (0.34) GRIN2B
SCHEMBL22043790 0.81 PRSS1 (0.33) GRIN2B
SCHEMBL24038958 0.81 PARP1 (0.41) —
SCHEMBL22043764 0.81 CTSL (0.34) —
SCHEMBL22044471 0.79 PAX8 (0.39) GRIN2B
SCHEMBL24039065 0.78 KDM4E (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24039028 0.76 MAP4K4 (0.37) —
SCHEMBL22044405 0.76 PARP1 (0.50) GRIN2B
SCHEMBL22044403 0.75 KDM4E (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 — — WO disclosed
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