SCHEMBL21252007

SCHEMBL21252007

COc1cc(OC)c(F)c(-c2cc3cnc(N)cc3c(N3CCC(C)(OC)CC3)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ KIT P10721 7/20 0.33
▸ WHR1 P49842 2/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ GAK O14976 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ TRPC6 Q9Y210 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ NEK2 P51955 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
SCHEMBL21252283 0.94 MAP3K12 (0.32) PIK3CAMTORMAP4K1GAKPRKCA
SCHEMBL21252476 0.90 MAP3K12 (0.34) PIK3CAMTORMAP4K1
SCHEMBL21240428 0.88 PDE9A (0.40) KITWHR1MAP4K1TTKPRKCA
SCHEMBL21251782 0.88 PIK3CA (0.36) PIK3CAMTORPTPN11
SCHEMBL21252340 0.85 PIK3CA (0.47) PIK3CAMTORMAP4K1GAK
SCHEMBL21252039 0.84 TTK (0.37) PIK3CAMTORKITTTKGAK
SCHEMBL21252194 0.83 PIK3CA (0.36) PIK3CAMTORWHR1MAP4K1GAK
SCHEMBL20332234 0.83 PDE9A (0.36) WHR1MAP4K1TTKABL1
SCHEMBL21252174 0.83 PIK3CA (0.37) PIK3CAMTORTTKNEK2
SCHEMBL21251949 0.83 FGFR4 (0.35) PIK3CAMTORTTKPTPN11

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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