SCHEMBL21252283

SCHEMBL21252283

COc1cc(OC)c(F)c(-c2cc3cnc(N)cc3c(N3CCC(C)(OC)C3)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 4/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ TRPC6 Q9Y210 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.30
▸ GAK O14976 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30

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
SCHEMBL21252007 0.94 PIK3CA (0.36) PIK3CAMTORTRPC6MAP4K1GAK
SCHEMBL21252476 0.92 MAP3K12 (0.34) MAP3K12PIK3CAMTORMAP4K1
SCHEMBL20332234 0.90 PDE9A (0.36) MAP4K1
SCHEMBL21240252 0.89 PDE9A (0.37) MAP4K1
SCHEMBL21251949 0.89 FGFR4 (0.35) PIK3CAMTOR
SCHEMBL20332029 0.85 FGFR4 (0.34) PIK3CAMTOR
SCHEMBL21252282 0.85 JAK2 (0.34) MAP3K12GAK
SCHEMBL21252150 0.84 MAP3K12 (0.33) MAP3K12PIK3CAMTORTRPC6MAP4K1
SCHEMBL21240428 0.83 PDE9A (0.40) MAP4K1PRKCA
SCHEMBL21251782 0.83 PIK3CA (0.36) PIK3CAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 — — EP disclosed
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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