SCHEMBL30426320

SCHEMBL30426320

Nc1cnn([C@H]2CC[C@H](N3CCOCC3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 15/20 0.41
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16975513 1.00 IRAK4 (0.41) IRAK4MAPK8MAPK9MAPK10JAK1
SCHEMBL16975451 0.91 IRAK4 (0.35) IRAK4MAPK8MAPK9MAPK10JAK1
SCHEMBL10191777 0.89 IRAK4 (0.38) IRAK4JAK1KDM5A
SCHEMBL15134755 0.87 KDM5A (0.41) KDM5AL3MBTL3L3MBTL1
SCHEMBL1422774 0.85 MET (0.41) IRAK4JAK1KDM5A
Hydrochloric Acid SCHEMBL15875304 0.83 MET (0.42) IRAK4JAK1KDM5A
Hydrochloric Acid SCHEMBL16593449 0.83 MET (0.42) IRAK4JAK1KDM5A
SCHEMBL173506 0.83 — —
SCHEMBL17076755 0.81 LRRK2 (0.42) KDM5A
Hydrochloric Acid SCHEMBL25243994 0.81 PIK3CD (0.41) KDM5A

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-4436970-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS Origenis GmbH (DE) 2024-10-02 — — EP disclosed
CN-118284610-A Pyrazolotriazine derivatives as CDK9 inhibitors 原真股份有限公司 2024-07-02 — — CN disclosed
WO-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 — — WO disclosed
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