SCHEMBL28342675

SCHEMBL28342675

Cc1ncnc2c(C)cc(-c3cnc(N)nc3-c3ccc(F)cc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 15/20 0.53
▸ RPS6KA3 P51812 1/20 0.50
▸ KMT2A Q03164 1/20 0.42
▸ ADORA2A P29274 11/20 0.41
▸ ADORA2B P29275 1/20 0.38
▸ PIKFYVE Q9Y2I7 1/20 0.37

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
SCHEMBL30353569 1.00 ADORA1 (0.53) ADORA1RPS6KA3KMT2AADORA2AADORA2B
SCHEMBL30353590 0.89 ADORA1 (0.45) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL28342652 0.89 ADORA1 (0.45) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL21621288 0.84 ADORA1 (0.55) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL29947057 0.84 ADORA1 (0.55) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL28342682 0.82 ADORA1 (0.54) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL30353580 0.82 ADORA1 (0.54) ADORA1RPS6KA3KMT2AADORA2A
SCHEMBL30353593 0.80 ADORA1 (0.36) ADORA1RPS6KA3KMT2AADORA2AADORA2B
SCHEMBL28342708 0.80 ADORA1 (0.36) ADORA1RPS6KA3KMT2AADORA2AADORA2B
SCHEMBL30353598 0.80 ADORA1 (0.50) ADORA1RPS6KA3KMT2AADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655509-B 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-24 — — CN disclosed
CN-110655509-A 2-aminopyrimidine derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-01-07 — — CN disclosed
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