SCHEMBL20417082

SCHEMBL20417082

CCCc1cccc(Cn2cc(-c3cc(N)nc(-c4cccc(C#N)c4)c3)nn2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.50
▸ CTSK P43235 9/20 0.50
▸ CYP19A1 P11511 2/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADORA2B P29275 4/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ ATR Q13535 1/20 0.37

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
SCHEMBL20416723 0.93 CYP19A1 (0.43) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20416734 0.88 CYP19A1 (0.41) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL30401212 0.88 CYP19A1 (0.41) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20416807 0.88 CTSS (0.51) CTSSCTSKCYP19A1ADORA2BADORA2A
SCHEMBL20436696 0.86 KLKB1 (0.41) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20436712 0.85 ADORA2B (0.45) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20417073 0.83 KLKB1 (0.39) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL30401933 0.83 KLKB1 (0.39) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20417081 0.83 CYP19A1 (0.39) CTSSCTSKCYP19A1KLKB1HDAC2
SCHEMBL20436697 0.82 LRRK2 (0.39) CYP19A1KLKB1HDAC2HDAC8HDAC6

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
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 — — EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 — — EP disclosed
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO disclosed
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