SCHEMBL31601894

SCHEMBL31601894

CCOC(=O)CN(Cc1ccc(OC)cc1)c1cc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 10/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ P2RY12 Q9H244 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ LIPE Q05469 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
SCHEMBL31601738 0.89 CNR2 (0.36) PDE1BMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL31601941 0.86 ALDH1A1 (0.34) PDE1BMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL31601920 0.85 DGAT1 (0.42) PDE1BMAPTPOLBRXFP1KDM4E
SCHEMBL31601804 0.83 POLB (0.37) PDE1BMAPTSMN1; SMN2POLBRXFP1
SCHEMBL31601908 0.83 POLB (0.35) PDE1BMAPTSMN1; SMN2POLBRXFP1
SCHEMBL31601954 0.83 POLB (0.36) PDE1BMAPTSMN1; SMN2POLBRXFP1
SCHEMBL31601747 0.82 P2RY12 (0.37) PDE1BMAPTSMN1; SMN2POLBRXFP1
SCHEMBL31601688 0.82 HPGD (0.38) MAPTSMN1; SMN2POLBRXFP1KDM4E
SCHEMBL31601800 0.81 RXFP1 (0.37) MAPTPOLBRXFP1KDM4EALDH1A1
SCHEMBL31601710 0.81 CETP (0.36) POLBRXFP1KDM4EALDH1A1F2

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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