SCHEMBL31601751

SCHEMBL31601751

COc1ccc(CNc2cc(N3CCOCC3)nn3c(C(F)(F)F)cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ KIT P10721 1/20 0.44
▸ THRB P10828 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDE2A O00408 1/20 0.39

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
SCHEMBL31601972 0.90 HRH4 (0.48) —
SCHEMBL31601910 0.88 KIT (0.46) RAB9AKITTHRBLCKPIK3CA
SCHEMBL31601750 0.82 PDE1B (0.39) RAB9ATHRBPIK3CAPIK3CDPIK3CB
SCHEMBL31601802 0.81 PI4KB (0.48) ACP1GAAKDM4EUSP1WDR48
SCHEMBL31601929 0.78 RAB9A (0.51) RAB9AKITTHRBPIK3CAPIK3CD
SCHEMBL31601904 0.77 MEN1 (0.44) ACP1LMNAGAAKDM4EALDH1A1
SCHEMBL31601812 0.77 PIK3CD (0.41) PIK3CAPIK3CDPIK3CBGAAKDM4E
SCHEMBL31601778 0.76 ALDH1A1 (0.40) THRBPIK3CAPIK3CDPIK3CBGAA
SCHEMBL31601788 0.76 PIK3CD (0.39) PIK3CAPIK3CDPIK3CBGAAKDM4E
SCHEMBL21617335 0.73 KIT (0.55) RAB9AKITTHRBPIK3CAPIK3CB

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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