SCHEMBL29294223

SCHEMBL29294223

CC(C)C([C@@H](C)Br)n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NLRP3 Q96P20 2/20 0.38
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL29295189 0.73 NLRP3 (0.56) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294062 0.73 NLRP3 (0.69) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29295027 0.72 NLRP3 (0.52) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294699 0.72 NLRP3 (0.57) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294230 0.72 KMT2A (0.39) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294427 0.71 KMT2A (0.47) KMT2ATSHRMEN1HSD17B10ALDH1A1
SCHEMBL29295247 0.71 NLRP3 (0.54) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294873 0.70 NLRP3 (0.56) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL29294222 0.70 NLRP3 (0.53) HPGDMAPK1NPSR1KMT2ATSHR
SCHEMBL30307855 0.69 TSHR (0.48) HPGDMAPK1NPSR1KMT2ATSHR

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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