SCHEMBL11077623

SCHEMBL11077623

Sc1ncc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 17/20 0.53
▸ ADORA2A P29274 9/20 0.53
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL11083093 0.81 ADORA1 (0.57) ADORA1ADORA2AKMT2A
SCHEMBL5990731 0.78 ADORA1 (0.54) ADORA1ADORA2AKMT2A
SCHEMBL2836957 0.76 KDM4E (0.53) ADORA1ADORA2A
SCHEMBL3282673 0.76 ADORA1 (0.53) ADORA1ADORA2AGFERKMT2A
SCHEMBL10205892 0.76 NTRK1 (0.58) ADORA1ADORA2A
SCHEMBL3284087 0.76 ADORA1 (0.53) ADORA1ADORA2AGFERKMT2A
SCHEMBL3282400 0.76 ADORA1 (0.62) ADORA1ADORA2AGFERKMT2A
SCHEMBL4582424 0.76 ADORA1 (0.83) ADORA1ADORA2AGFERKMT2A
SCHEMBL13800032 0.76 ADORA1 (0.43) ADORA1ADORA2A
SCHEMBL29177828 0.74 ADORA1 (0.51) ADORA1ADORA2AKMT2A

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-4438117-A ANALGESICS, ANTINFLAMMATORY AND ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-20 — — US disclosed
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