SCHEMBL29294969

SCHEMBL29294969

Cc1cc(Br)cc(C)c1-n1cc2c(=O)[nH]c(N3CCOC[C@H]3C)nc2n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.62
▸ PIK3C3 Q8NEB9 11/20 0.39
▸ PDE4D Q08499 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MTOR P42345 5/20 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
SCHEMBL29294998 1.00 NLRP3 (0.62) NLRP3PIK3C3PDE4DATRATM
SCHEMBL29294968 1.00 NLRP3 (0.62) NLRP3PIK3C3PDE4DATRATM
SCHEMBL29295119 0.89 NLRP3 (0.49) NLRP3PIK3C3PDE4DATRATM
SCHEMBL29295120 0.89 NLRP3 (0.49) NLRP3PIK3C3PDE4DATRATM
SCHEMBL29295066 0.89 NLRP3 (0.49) NLRP3PIK3C3ATR
SCHEMBL29295057 0.88 NLRP3 (0.60) NLRP3PIK3C3ATRATMMTOR
SCHEMBL29295141 0.85 NLRP3 (0.60) NLRP3
SCHEMBL29295144 0.85 NLRP3 (0.60) NLRP3
SCHEMBL29295142 0.85 NLRP3 (0.60) NLRP3
SCHEMBL29294062 0.84 NLRP3 (0.69) NLRP3

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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