SCHEMBL20332234

SCHEMBL20332234

COc1cc(OC)c(F)c(-c2cc3cnc(C)cc3c(N3CCC(C)(OC)C3)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 1/20 0.36
▸ ABL1 P00519 2/20 0.32
▸ MAP4K1 Q92918 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ WHR1 P49842 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
SCHEMBL20331732 0.92 ABL1 (0.32) PDE9AABL1MAP4K1TTK
SCHEMBL21252104 0.90 ABL1 (0.36) PDE9AABL1MAP4K1TTKWHR1
SCHEMBL21252283 0.90 MAP3K12 (0.32) MAP4K1
SCHEMBL21240252 0.90 PDE9A (0.37) PDE9AMAP4K1TTK
SCHEMBL21252119 0.89 PDE9A (0.36) PDE9ATTK
SCHEMBL21240428 0.83 PDE9A (0.40) PDE9AABL1MAP4K1TTKWHR1
SCHEMBL21252007 0.83 PIK3CA (0.36) ABL1MAP4K1TTKWHR1
SCHEMBL21252282 0.82 JAK2 (0.34) TTK
SCHEMBL21252476 0.81 MAP3K12 (0.34) MAP4K1
SCHEMBL21240064 0.81 PDE9A (0.32) PDE9AMAP4K1

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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