SCHEMBL31601688

SCHEMBL31601688

CCOC(=O)CN(Cc1ccc(OC)cc1)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GPR4 P46093 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ BMP1 P13497 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SLC2A1 P11166 2/20 0.35

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
SCHEMBL31601747 0.91 P2RY12 (0.37) HPGDSMN1; SMN2MAPTPOLBMAPK1
SCHEMBL31601815 0.90 SMN1; SMN2 (0.40) HPGDSMN1; SMN2MAPTLMNAPOLB
SCHEMBL31601710 0.88 CETP (0.36) GPR119POLBKDM4EALDH1A1MEN1
SCHEMBL31601920 0.88 DGAT1 (0.42) MAPTPOLBKDM4EALDH1A1RXFP1
SCHEMBL31601804 0.88 POLB (0.37) HPGDSMN1; SMN2MAPTPOLBMAPK1
SCHEMBL31601908 0.88 POLB (0.35) HPGDSMN1; SMN2GPR119MAPTPOLB
SCHEMBL31601736 0.87 ALDH1A1 (0.34) MAPTPOLBKDM4EALDH1A1MEN1
SCHEMBL31601795 0.85 ALDH1A1 (0.33) HPGDSMN1; SMN2LMNAPOLBKDM4E
SCHEMBL31601738 0.84 CNR2 (0.36) SMN1; SMN2MAPTPOLBP2RY12KDM4E
SCHEMBL31601954 0.84 POLB (0.36) HPGDSMN1; SMN2MAPTPOLBP2RY12

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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