SCHEMBL30399770

SCHEMBL30399770

COCCOc1ccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.49
▸ ADORA2B P29275 12/20 0.49
▸ CYP19A1 P11511 3/20 0.46
▸ MAPT P10636 1/20 0.45
▸ KDR P35968 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ TEK Q02763 1/20 0.44

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
SCHEMBL20400249 1.00 ADORA2A (0.49) ADORA2AADORA2BCYP19A1MAPTKDR
SCHEMBL20436594 0.92 ADORA2A (0.49) ADORA2AADORA2BCYP19A1MAPTKDR
SCHEMBL20436595 0.85 ADORA2A (0.62) ADORA2AADORA2BCYP19A1KDR
SCHEMBL20416780 0.85 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL30401218 0.85 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL20401354 0.83 ADORA2A (0.52) ADORA2AADORA2BCYP19A1KDRTEK
SCHEMBL30401330 0.83 ADORA2A (0.52) ADORA2AADORA2BCYP19A1KDRTEK
SCHEMBL20416791 0.83 ADORA2A (0.46) ADORA2AADORA2B
SCHEMBL30401105 0.83 ADORA2A (0.46) ADORA2AADORA2B
SCHEMBL20436596 0.82 ADORA2A (0.54) 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
Send feedback