SCHEMBL23815859

SCHEMBL23815859

C=C1Nc2ccnc(N)c2N1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL25616185 0.72 NOS3 (0.33) NOS3NOS2ADORA2AADORA2BADORA1
SCHEMBL23815922 0.70 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL23816132 0.63 NOS3 (0.33) NOS3NOS2
SCHEMBL24204653 0.61 — —
SCHEMBL25616201 0.60 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL13866835 0.59 RXFP1 (0.35) —
SCHEMBL14933945 0.58 — —
SCHEMBL12021588 0.57 AKT1 (0.37) ADORA2AADORA1
SCHEMBL23346951 0.56 PIK3CB (0.42) NOS3NOS2ADORA2AADORA2BADORA1
SCHEMBL3286320 0.55 RXFP1 (0.41) ADORA2AADORA2BADORA1

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-2021180107-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-09-16 — — WO disclosed
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