SCHEMBL2047893

SCHEMBL2047893

O=C1NCc2c(F)cncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 3/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PARP10 Q53GL7 2/20 0.35
▸ PARP11 Q9NR21 2/20 0.35
▸ MET P08581 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL30461697 0.74 CDC7 (0.49) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL18863211 0.72 GRM2 (0.50) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL30775381 0.72 CLK4 (0.49) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL29871952 0.71 CDK5 (0.61) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL1078443 0.71 CDK5 (0.61) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL17141660 0.69 CLK4 (0.46) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL8169835 0.69 GRM2 (0.44) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL12240961 0.69 CLK4 (0.44) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL30004086 0.67 GRM2 (0.42) CLK4PIM1ROCK1CDK5DYRK1A
SCHEMBL27086356 0.67 GRM2 (0.42) CLK4PIM1ROCK1CDK5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 — — EP claimed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 — — WO claimed
EP-2723739-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2014-04-30 — — EP disclosed
WO-2012177714-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-27 — — WO disclosed
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 — — EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 — — WO disclosed
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