SCHEMBL29294459

SCHEMBL29294459

Cc1ccccc1-n1cc2c(=O)[nH]c(N3CCOCC3C)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 8/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ MTOR P42345 6/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ ATR Q13535 1/20 0.38

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
SCHEMBL29294522 0.85 ADORA3 (0.46) ADORA3NLRP3ATMIRAK4
SCHEMBL29294427 0.84 KMT2A (0.47) ADORA3NLRP3IRAK4
SCHEMBL29294968 0.82 NLRP3 (0.62) PIK3C3MTORNLRP3ATMPDE4D
SCHEMBL29294969 0.82 NLRP3 (0.62) PIK3C3MTORNLRP3ATMPDE4D
SCHEMBL29294998 0.82 NLRP3 (0.62) PIK3C3MTORNLRP3ATMPDE4D
SCHEMBL29295119 0.80 NLRP3 (0.49) PIK3C3NLRP3ATMPDE4DATR
SCHEMBL29295120 0.80 NLRP3 (0.49) PIK3C3NLRP3ATMPDE4DATR
SCHEMBL29295066 0.80 NLRP3 (0.49) PIK3C3NLRP3ATR
SCHEMBL29294455 0.78 ADORA3 (0.48) ADORA3NLRP3
SCHEMBL29294201 0.78 ADORA3 (0.48) ADORA3NLRP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 — — EP disclosed
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