SCHEMBL21252174

SCHEMBL21252174

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.37
▸ MTOR P42345 2/20 0.37
▸ NEK2 P51955 5/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ NTSR1 P30989 4/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ DCK P27707 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20331865 0.94 PDE10A (0.37) NEK2NTSR1
SCHEMBL21252083 0.90 PDE10A (0.34) PIK3CAMTORTTK
SCHEMBL21240276 0.88 NTSR1 (0.35) PIK3CANEK2PLK1NEK1NTSR1
SCHEMBL21252058 0.88 FGFR4 (0.40) PIK3CAMTORNEK2PLK1NEK1
SCHEMBL21252340 0.86 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL21251916 0.85 TTK (0.39) PIK3CANEK2PLK1NEK1JAK2
SCHEMBL21251873 0.85 PIK3CA (0.37) PIK3CAMTORNEK2PLK1NEK1
SCHEMBL21251668 0.83 NTSR1 (0.39) PIK3CAMTORNTSR1MAP4K4
SCHEMBL20332232 0.83 PDE10A (0.37) NTSR1TTK
SCHEMBL21252007 0.83 PIK3CA (0.36) PIK3CAMTORNEK2TTK

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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