SCHEMBL31601738

SCHEMBL31601738

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDE1B Q01064 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABL1 P00519 5/20 0.35
▸ P2RY12 Q9H244 2/20 0.34
▸ F10 P00742 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL31601894 0.89 PDE1B (0.34) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601920 0.88 DGAT1 (0.42) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601804 0.88 POLB (0.37) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601954 0.87 POLB (0.36) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601747 0.86 P2RY12 (0.37) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601908 0.86 POLB (0.35) POLBRXFP1PDE1BMAPTKDM4E
SCHEMBL31601688 0.84 HPGD (0.38) POLBRXFP1MAPTKDM4EALDH1A1
SCHEMBL31601800 0.84 RXFP1 (0.37) POLBRXFP1MAPTKDM4EALDH1A1
SCHEMBL31601710 0.84 CETP (0.36) POLBRXFP1KDM4EALDH1A1F10
SCHEMBL31601815 0.83 SMN1; SMN2 (0.40) POLBMAPTKDM4EALDH1A1SMN1; SMN2

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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