SCHEMBL29295134

SCHEMBL29295134

Cc1c(Cl)ccc(-n2cc3c(=O)[nH]c(N4CCOCC4)nc3n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ NLRP3 Q96P20 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CDC7 O00311 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
SCHEMBL29294871 0.85 NLRP3 (0.44) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29295097 0.84 NLRP3 (0.47) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294571 0.82 NLRP3 (0.46) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294427 0.82 KMT2A (0.47) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294872 0.82 NLRP3 (0.42) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294222 0.81 NLRP3 (0.53) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294791 0.81 ALDH1A1 (0.41) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL29294873 0.79 NLRP3 (0.56) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29295027 0.79 NLRP3 (0.52) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294832 0.79 NLRP3 (0.53) KMT2ANLRP3TSHRMEN1HSD17B10

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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