SCHEMBL21252039

SCHEMBL21252039

COc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c(N3CCC(C)(OC)CC3)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.37
▸ NOS1 P29475 3/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 3/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ AURKB Q96GD4 3/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GAK O14976 2/20 0.33
▸ KIT P10721 3/20 0.32
▸ MAP3K12 Q12852 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31

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
SCHEMBL21252282 0.94 JAK2 (0.34) TTKNOS1JAK2JAK1TYK2
SCHEMBL21251781 0.90 JAK2 (0.36) TTKNOS1JAK2JAK1TYK2
SCHEMBL21251663 0.88 NOS1 (0.36) TTKNOS1JAK2JAK1TYK2
SCHEMBL24488377 0.88 NOS1 (0.44) NOS1JAK2JAK1TYK2KDR
SCHEMBL30046092 0.87 TTK (0.36) TTKPIK3CAMTORGAK
SCHEMBL20331784 0.87 TTK (0.36) TTKPIK3CAMTORGAK
SCHEMBL21252298 0.87 TTK (0.38) TTKNOS1JAK2JAK1TYK2
SCHEMBL21252445 0.85 TTK (0.36) TTKNOS1JAK2JAK1TYK2
SCHEMBL21252225 0.85 NOS1 (0.45) NOS1PIK3CAMTORGAK
SCHEMBL21252007 0.84 PIK3CA (0.36) TTKPIK3CAMTORGAKKIT

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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