SCHEMBL31601804

SCHEMBL31601804

CCOC(=O)CN(Cc1ccc(OC)cc1)c1cc(N2CCNCC2)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NMT2 O60551 2/20 0.34
▸ NMT1 P30419 2/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ P2RY12 Q9H244 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F2 P00734 2/20 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
SCHEMBL31601920 0.91 DGAT1 (0.42) POLBRXFP1PDE1BALDH1A1KDM4E
SCHEMBL31601747 0.90 P2RY12 (0.37) POLBRXFP1PDE1BP2RY12ALDH1A1
SCHEMBL31601688 0.88 HPGD (0.38) POLBRXFP1P2RY12ALDH1A1KDM4E
SCHEMBL31601738 0.88 CNR2 (0.36) POLBRXFP1PDE1BP2RY12ALDH1A1
SCHEMBL31601954 0.86 POLB (0.36) POLBRXFP1PDE1BP2RY12ALDH1A1
SCHEMBL31601815 0.86 SMN1; SMN2 (0.40) POLBALDH1A1KDM4EHTTNPSR1
SCHEMBL31601800 0.86 RXFP1 (0.37) POLBRXFP1P2RY12ALDH1A1KDM4E
SCHEMBL31601908 0.85 POLB (0.35) POLBRXFP1PDE1BP2RY12ALDH1A1
SCHEMBL31601736 0.83 ALDH1A1 (0.34) POLBRXFP1PDE1BALDH1A1KDM4E
SCHEMBL31601670 0.82 ALDH1A1 (0.37) POLBRXFP1PDE1BALDH1A1KDM4E

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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