SCHEMBL31601735

SCHEMBL31601735

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCC(=O)CC3)nn3ccnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ ZAP70 P43403 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL31601978 0.91 NR1D1 (0.35) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601743 0.91 PIK3CD (0.38) NR1D1HPGDNPSR1HSD17B10LMNA
SCHEMBL31601748 0.84 NR1D1 (0.34) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601795 0.83 ALDH1A1 (0.33) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601758 0.78 NR1D1 (0.35) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601888 0.77 PIK3CD (0.43) HPGDNPSR1L3MBTL1LMNAMAPT
SCHEMBL31601880 0.76 NR1D1 (0.34) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601736 0.74 ALDH1A1 (0.34) NR1D1NPSR1L3MBTL1MAPTALDH1A1
SCHEMBL31601801 0.73 ALDH1A1 (0.42) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL31601761 0.73 ALDH1A1 (0.36) HPGDNPSR1HSD17B10L3MBTL1LMNA

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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