SCHEMBL31601736

SCHEMBL31601736

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCN(C)CC3)nn3c(C(F)(F)F)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NR1D1 P20393 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE1B Q01064 3/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL31601795 0.92 ALDH1A1 (0.33) ALDH1A1KDM4ENR1D1HTTNPSR1
SCHEMBL31601670 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601880 0.89 NR1D1 (0.34) ALDH1A1NR1D1NPSR1L3MBTL1PDE1B
SCHEMBL31601688 0.87 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ARXFP1
SCHEMBL31601747 0.83 P2RY12 (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601978 0.83 NR1D1 (0.35) ALDH1A1KDM4ENR1D1NPSR1L3MBTL1
SCHEMBL31601920 0.83 DGAT1 (0.42) ALDH1A1KDM4EPDE1BRXFP1POLB
SCHEMBL31601804 0.83 POLB (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601740 0.82 NPSR1 (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601761 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EHTTNPSR1TDP1

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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