SCHEMBL31601747

SCHEMBL31601747

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ F2 P00734 3/20 0.34
▸ F10 P00742 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL31601740 0.91 NPSR1 (0.37) P2RY12HPGDSMN1; SMN2MAPK1ME2
SCHEMBL31601688 0.91 HPGD (0.38) P2RY12HPGDSMN1; SMN2POLBRXFP1
SCHEMBL31601804 0.90 POLB (0.37) P2RY12HPGDSMN1; SMN2POLBRXFP1
SCHEMBL31601920 0.90 DGAT1 (0.42) POLBRXFP1MAPTALDH1A1KDM4E
SCHEMBL31601815 0.89 SMN1; SMN2 (0.40) HPGDSMN1; SMN2POLBMAPTMAPK1
SCHEMBL31601738 0.86 CNR2 (0.36) P2RY12SMN1; SMN2POLBRXFP1MAPT
SCHEMBL31601954 0.85 POLB (0.36) P2RY12HPGDSMN1; SMN2POLBRXFP1
SCHEMBL31601800 0.84 RXFP1 (0.37) P2RY12HPGDPOLBRXFP1MAPT
SCHEMBL31601908 0.84 POLB (0.35) P2RY12HPGDSMN1; SMN2POLBRXFP1
SCHEMBL31601736 0.83 ALDH1A1 (0.34) POLBRXFP1MAPTME2ME1

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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