SCHEMBL30402264

SCHEMBL30402264

N#Cc1cccc(-c2cc(-c3cn(Cc4cccnc4)nn3)nc(N)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 4/20 0.51
▸ ADORA2A P29274 12/20 0.50
▸ ADORA2B P29275 9/20 0.47
▸ KDR P35968 3/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL20401295 1.00 TEK (0.51) TEKADORA2AADORA2BKDRCYP19A1
SCHEMBL20401354 0.89 ADORA2A (0.52) TEKADORA2AADORA2BKDRCYP19A1
SCHEMBL30401330 0.89 ADORA2A (0.52) TEKADORA2AADORA2BKDRCYP19A1
SCHEMBL20436595 0.89 ADORA2A (0.62) ADORA2AADORA2BKDRCYP19A1CLK4
SCHEMBL20436604 0.85 ADORA2A (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL20436596 0.85 ADORA2A (0.54) ADORA2AADORA2BCYP19A1
SCHEMBL20436589 0.85 ADORA2A (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL20401255 0.85 ADORA2A (0.50) TEKADORA2AADORA2BKDRCYP19A1
SCHEMBL30402089 0.85 ADORA2A (0.50) TEKADORA2AADORA2BKDRCYP19A1
SCHEMBL20436598 0.83 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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