SCHEMBL29294571

SCHEMBL29294571

Cc1ccc(-n2cc3c(=O)[nH]c(N4CCOCC4)nc3n2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ APAF1 O14727 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ PIK3CD O00329 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
SCHEMBL29294529 0.90 NLRP3 (0.43) NLRP3ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29294871 0.90 NLRP3 (0.44) NLRP3L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL29294222 0.90 NLRP3 (0.53) NLRP3ALDH1A1TSHRGAAKMT2A
SCHEMBL29294667 0.88 HTR3A (0.47) NLRP3ALDH1A1TSHRKMT2AMEN1
SCHEMBL29294427 0.87 KMT2A (0.47) NLRP3ALDH1A1TSHRKMT2AHSD17B10
SCHEMBL29295046 0.87 NLRP3 (0.42) NLRP3ALDH1A1TSHRGAAKMT2A
SCHEMBL29294872 0.86 NLRP3 (0.42) NLRP3L3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL29294822 0.86 NLRP3 (0.50) NLRP3ALDH1A1TSHRGAAKMT2A
SCHEMBL29294699 0.86 NLRP3 (0.57) NLRP3ALDH1A1TSHRGAAKMT2A
SCHEMBL29295229 0.86 NLRP3 (0.40) NLRP3L3MBTL1ALDH1A1TSHRGAA

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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