SCHEMBL29294427

SCHEMBL29294427

Cc1ccccc1-n1cc2c(=O)[nH]c(N3CCOCC3)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.45
▸ TSHR P16473 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APAF1 O14727 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL29294455 0.90 ADORA3 (0.48) KMT2AADORA3NLRP3HTR3APOLB
SCHEMBL29294201 0.90 ADORA3 (0.48) ADORA3NLRP3ALDH1A1HTR3APOLB
SCHEMBL29294465 0.89 ADORA3 (0.47) ADORA3NLRP3TSHRHSD17B10ALDH1A1
SCHEMBL29295027 0.88 NLRP3 (0.52) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294571 0.87 NLRP3 (0.46) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294222 0.85 NLRP3 (0.53) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294871 0.85 NLRP3 (0.44) KMT2ANLRP3TSHRMEN1HSD17B10
SCHEMBL29294477 0.84 KMT2A (0.45) KMT2ANLRP3TSHRAPAF1CDC25B
SCHEMBL29294459 0.84 PIK3C3 (0.44) ADORA3NLRP3IRAK4
SCHEMBL29295234 0.84 KMT2A (0.45) 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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