SCHEMBL2715944

SCHEMBL2715944

C[C@H](CC=O)N(N)c1nc(Nc2cccc(-c3ncccn3)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.46
CDK5 Q00535 8/20 0.35
CDK5R1 Q15078 8/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNA1 P78396 4/20 0.35
DYRK1A Q13627 6/20 0.35
BTK Q06187 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
SCHEMBL2715948 1.00 SYK (0.46) SYKCDK5CDK5R1CCNA2CDK2
SCHEMBL2715679 0.91 SYK (0.39) SYKCDK5CDK5R1CCNA2CDK2
SCHEMBL2718568 0.87 SYK (0.41) SYK
SCHEMBL2715849 0.83 PIK3CA (0.38) SYK
SCHEMBL2715434 0.83 SYK (0.40) SYKBTK
SCHEMBL2715431 0.83 SYK (0.40) SYKBTK
SCHEMBL2716094 0.82 EGFR (0.38) SYK
SCHEMBL2719062 0.79 GAA (0.44) SYKDYRK1A
SCHEMBL2717572 0.78 EGFR (0.38) SYK
SCHEMBL2715377 0.77 SYK (0.42) SYKBTK

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed