SCHEMBL31601801

SCHEMBL31601801

CC(C)(C)OC(=O)CN(Cc1ccccc1)c1cc(Cl)nn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ AKT1 P31749 3/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL31601898 0.80 ABCB1 (0.33) ALDH1A1APOBEC3AHTR2CSLC6A4ABCB1
SCHEMBL23993917 0.77 ALDH1A1 (0.47) ALDH1A1APOBEC3AJAK2JAK3CYP2C9
SCHEMBL31601758 0.76 NR1D1 (0.35) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31601978 0.74 NR1D1 (0.35) ALDH1A1JAK2JAK3KMT2AMEN1
SCHEMBL20506830 0.74 AKT1 (0.46) AKT1CTSLCTSBCTSSABCB1
SCHEMBL24500852 0.74 P2RX3 (0.33) ALDH1A1APOBEC3AHTR2CSLC6A4BRD4
SCHEMBL31601743 0.73 PIK3CD (0.38) ALDH1A1LMNAPOLB
SCHEMBL31601735 0.73 NR1D1 (0.35) ALDH1A1NPC1RAB9ALMNAL3MBTL1
SCHEMBL31528267 0.73 LMNA (0.41) ALDH1A1HTR2CSLC6A4CYP2C9KMT2A
SCHEMBL31487247 0.71 ALDH1A1 (0.43) ALDH1A1APOBEC3AAKT1HTR2CSLC6A4

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
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 — — WO disclosed
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