SCHEMBL29294222

SCHEMBL29294222

Cc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.53
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36

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
SCHEMBL29294822 0.96 NLRP3 (0.50) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29294585 0.91 NLRP3 (0.51) NLRP3KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL29294571 0.90 NLRP3 (0.46) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29294871 0.88 NLRP3 (0.44) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29295193 0.87 NLRP3 (0.44) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29294647 0.87 NLRP3 (0.48) NLRP3KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL29294062 0.87 NLRP3 (0.69) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29295050 0.86 NLRP3 (0.43) NLRP3KMT2ATSHRHSD17B10MEN1
SCHEMBL29294644 0.86 NLRP3 (0.47) NLRP3KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL29294427 0.85 KMT2A (0.47) NLRP3KMT2ATSHRHSD17B10MEN1

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
Send feedback