SCHEMBL30401874

SCHEMBL30401874

COCc1cccc(Cn2cc(-c3cc(-c4cccc(Cl)c4)nc(N)n3)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.46
▸ TEK Q02763 3/20 0.46
▸ EPHB4 P54760 2/20 0.46
▸ ADORA2A P29274 8/20 0.43
▸ ADORA2B P29275 8/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL20416781 1.00 KDR (0.46) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20442127 0.90 TEK (0.47) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20417191 0.90 ADORA2A (0.46) KDRADORA2AADORA2BADORA1
SCHEMBL30401930 0.89 ADORA2A (0.46) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20401210 0.89 ADORA2A (0.46) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL30401143 0.89 ADORA2A (0.46) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20401029 0.89 ADORA2A (0.46) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20436400 0.89 ADORA2A (0.47) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20401259 0.88 ADORA2A (0.43) KDRTEKEPHB4ADORA2AADORA2B
SCHEMBL20400625 0.87 ADORA2A (0.43) KDRTEKEPHB4ADORA2AADORA2B

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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