SCHEMBL20331736

SCHEMBL20331736

COc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CC(OC)C3)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.34
▸ PDE10A Q9Y233 3/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ MAP3K12 Q12852 2/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ DYRK1B Q9Y463 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
SCHEMBL20332232 0.92 PDE10A (0.37) TTKPDE10APDE3BPDE3A
SCHEMBL21252083 0.88 PDE10A (0.34) TTKPDE10APIK3CAMAP4K1MAP3K12
SCHEMBL21240401 0.88 PDCD1 (0.34) TTKPDE10APIK3CAMAP4K1PDE3B
SCHEMBL20331743 0.85 FGFR4 (0.33) TTKPDE10APDE3BPDE3ACHRM3
SCHEMBL21252126 0.82 LRRK2 (0.41) TTKPDE10AMAP3K12
SCHEMBL20331732 0.82 ABL1 (0.32) TTKABL1MAP4K1MAP3K12
SCHEMBL21240363 0.81 PDE10A (0.39) PDE10APDE3BPDE3A
SCHEMBL20331865 0.81 PDE10A (0.37) PDE10AMAP3K12PDE3BPDE3A
SCHEMBL21252104 0.81 ABL1 (0.36) TTKPDE10AABL1MAP4K1MAP3K12
SCHEMBL20330834 0.80 TTK (0.37) TTKMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018113584-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2018-06-28 — — WO disclosed
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