SCHEMBL31601758

SCHEMBL31601758

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(-c3cnc(N)nc3)nn3ccnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ZAP70 P43403 2/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL31601839 0.85 NR1D1 (0.35) NR1D1CDC25ACDC25BPTPN1NOS1
SCHEMBL31601786 0.85 NR1D1 (0.35) NR1D1CDC25ACDC25BPTPN1NOS1
SCHEMBL31601866 0.82 NR1D1 (0.33) NR1D1CDC25ACDC25BPTPN1ALDH1A1
SCHEMBL31601924 0.81 NR1D1 (0.34) NR1D1CDC25ACDC25BPTPN1ALDH1A1
SCHEMBL31601989 0.79 ALDH1A1 (0.32) NR1D1CDC25ACDC25BALDH1A1SMN1; SMN2
SCHEMBL31601978 0.79 NR1D1 (0.35) NR1D1ZAP70ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31601735 0.78 NR1D1 (0.35) NR1D1ZAP70ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31601743 0.78 PIK3CD (0.38) NR1D1ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL31601801 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL31528267 0.69 LMNA (0.41) ALDH1A1SMN1; SMN2L3MBTL1MEN1TSHR

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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