SCHEMBL31601788

SCHEMBL31601788

CC(C)(C)OC(=O)CNc1cc(N2CCOCC2)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.39
▸ PIK3C2B O00750 14/20 0.39
▸ MTOR P42345 10/20 0.38
▸ PIK3CG P48736 9/20 0.38
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AKT1 P31749 1/20 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
SCHEMBL31601780 0.88 PIK3CD (0.39) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL31601812 0.87 PIK3CD (0.41) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL31601704 0.79 RAF1 (0.39) PIK3CAGAAAKT1
SCHEMBL31601751 0.76 RAB9A (0.47) PIK3CDPIK3CBPIK3CAGAAKDM4E
SCHEMBL31601949 0.76 PIK3CD (0.37) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL31601776 0.74 PIK3CD (0.42) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL31601771 0.74 PIK3CD (0.42) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL31601850 0.71 MTOR (0.48) PIK3CDPIK3C2BMTORPIK3CGPIK3CB
SCHEMBL25299186 0.71 KDM4E (0.46) PIK3CADGAT1SOAT1KDM4EALDH1A1
SCHEMBL31601726 0.69 PIK3CD (0.36) PIK3CDPIK3C2BMTORPIK3CGPIK3CB

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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