SCHEMBL30401216

SCHEMBL30401216

COCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NC(C)C)n3)nn2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.38
▸ ADORA2B P29275 6/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ IRAK4 Q9NWZ3 6/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGDR Q13258 1/20 0.35
▸ ALOX12 P18054 1/20 0.34

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
SCHEMBL20400724 1.00 ADORA2A (0.38) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL20436624 0.91 ADORA2A (0.41) ADORA2AADORA2BADORA1IRAK4CYP19A1
SCHEMBL20401313 0.91 ADORA2A (0.39) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL30401191 0.91 ADORA2A (0.39) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL20416870 0.87 PTGDR (0.38) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL30401371 0.87 PTGDR (0.38) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL20400402 0.87 ADORA2A (0.36) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL30401183 0.87 ADORA2A (0.36) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL25433058 0.87 ADORA2B (0.39) ADORA2AADORA2BADORA1OXTRAVPR1A
SCHEMBL20400534 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1

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 3 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
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 — — EP 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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