SCHEMBL31601800

SCHEMBL31601800

CCOC(=O)CN(Cc1ccc(OC)cc1)c1cc(N2CCC3(C2)OCCO3)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ F2 P00734 6/20 0.34
▸ F10 P00742 6/20 0.34
▸ CES2 O00748 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ P2RY12 Q9H244 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
SCHEMBL31601897 0.92 RXFP1 (0.38) RXFP1ALDH1A1MEN1KMT2APOLB
SCHEMBL31601920 0.89 DGAT1 (0.42) RXFP1ALDH1A1POLBHSD17B10KDM4E
SCHEMBL31601804 0.86 POLB (0.37) RXFP1ALDH1A1POLBF2F10
SCHEMBL31601747 0.84 P2RY12 (0.37) RXFP1ALDH1A1MEN1KMT2APOLB
SCHEMBL31601738 0.84 CNR2 (0.36) RXFP1ALDH1A1POLBF10HSD17B10
SCHEMBL31601688 0.83 HPGD (0.38) RXFP1ALDH1A1MEN1KMT2APOLB
SCHEMBL31601954 0.82 POLB (0.36) RXFP1ALDH1A1POLBF2F10
SCHEMBL31601908 0.81 POLB (0.35) RXFP1ALDH1A1POLBF2F10
SCHEMBL31601894 0.81 PDE1B (0.34) RXFP1ALDH1A1POLBF2F10
SCHEMBL31601815 0.81 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2APOLBHPGD

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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