SCHEMBL21252058

SCHEMBL21252058

COc1cc(OC)c(Cl)c(-c2cc3cnc(N)cc3c(N3CCC(OC)CC3)n2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.40
▸ PIK3CA P42336 2/20 0.37
▸ MTOR P42345 2/20 0.37
▸ FGFR1 P11362 3/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ NEK2 P51955 4/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ NEK1 Q96PY6 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL21251873 0.94 PIK3CA (0.37) FGFR4PIK3CAMTORFGFR1FGFR2
SCHEMBL24488230 0.94 PDE10A (0.39) FGFR4FGFR1FGFR2NEK2NTSR1
SCHEMBL21252481 0.90 FGFR4 (0.40) FGFR4FGFR1FGFR2NEK2PLK1
SCHEMBL21251762 0.90 FGFR4 (0.37) FGFR4PIK3CAMTORFGFR1FGFR2
SCHEMBL21240344 0.90 FGFR4 (0.39) FGFR4FGFR1FGFR2NEK2JAK2
SCHEMBL20332035 0.89 PDE10A (0.37) FGFR4FGFR1FGFR2NEK2NTSR1
SCHEMBL21252341 0.89 SMN1; SMN2 (0.43) FGFR4PIK3CAMTORFGFR1FGFR2
SCHEMBL21252286 0.89 SMN1; SMN2 (0.40) FGFR4PIK3CAMTORFGFR1FGFR2
SCHEMBL21252087 0.89 MAP4K4 (0.39) FGFR4FGFR1FGFR2MAP4K4PDE3B
SCHEMBL21252174 0.88 PIK3CA (0.37) PIK3CAMTORNEK2PLK1NEK1

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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