SCHEMBL31601910

SCHEMBL31601910

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ THRB P10828 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ CSF1R P07333 5/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CLK1 P49759 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL31601751 0.88 RAB9A (0.47) KITRAB9ATHRBLCKPIK3CA
SCHEMBL31601972 0.78 HRH4 (0.48) —
SCHEMBL31601796 0.77 THRB (0.38) THRBKDM4EGAAPDE1BMAPT
SCHEMBL31601929 0.77 RAB9A (0.51) KITRAB9ATHRBPIK3CAPIK3CD
SCHEMBL31601938 0.75 THRB (0.36) THRBCSF1RKDM4EGAAPDE1B
SCHEMBL21617335 0.72 KIT (0.55) KITRAB9ATHRBPIK3CAPIK3CB
SCHEMBL30724577 0.71 STAT6 (0.51) KITRAB9ATHRBPIK3CAPIK3CB
SCHEMBL21617380 0.71 STAT6 (0.51) KITRAB9ATHRBPIK3CAPIK3CB
SCHEMBL31601750 0.70 PDE1B (0.39) RAB9ATHRBPIK3CAPIK3CDPIK3CB
SCHEMBL2449960 0.69 RAB9A (0.70) KITRAB9APIK3CAPIK3CDPIK3CB

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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