SCHEMBL30401218

SCHEMBL30401218

COCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.49
▸ ADORA2B P29275 10/20 0.49
▸ CYP19A1 P11511 1/20 0.43
▸ CD74 P04233 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL20416780 1.00 ADORA2A (0.49) ADORA2AADORA2BCYP19A1CD74MIF
SCHEMBL20436589 0.90 ADORA2A (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL20436604 0.88 ADORA2A (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL20436596 0.88 ADORA2A (0.54) ADORA2AADORA2BCYP19A1
SCHEMBL20436595 0.87 ADORA2A (0.62) ADORA2AADORA2BCYP19A1
SCHEMBL30402211 0.87 ADORA2A (0.49) ADORA2AADORA2B
SCHEMBL20400534 0.87 ADORA2A (0.49) ADORA2AADORA2B
SCHEMBL20436598 0.85 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL20400249 0.85 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL30399770 0.85 ADORA2A (0.49) ADORA2AADORA2BCYP19A1

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-116768859-A Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-09-19 — — CN disclosed
CN-110214012-B Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-05-09 — — CN disclosed
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