SCHEMBL2715849

SCHEMBL2715849

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
SYK P43405 7/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
MLKL Q8NB16 1/20 0.36
GRM4 Q14833 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
BUB1 O43683 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
P2RX3 P56373 2/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
AKT1 P31749 1/20 0.33
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33

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
SCHEMBL2716094 0.92 EGFR (0.38) SYKP2RX3
SCHEMBL2715431 0.88 SYK (0.40) SYK
SCHEMBL2715434 0.88 SYK (0.40) SYK
SCHEMBL2718568 0.87 SYK (0.41) SYK
SCHEMBL2715944 0.83 SYK (0.46) SYK
SCHEMBL2715948 0.83 SYK (0.46) SYK
SCHEMBL2719062 0.83 GAA (0.44) SYK
SCHEMBL2716703 0.81 ABL1 (0.39) SYK
SCHEMBL2715679 0.81 SYK (0.39) SYKEP300CREBBP
SCHEMBL2717572 0.80 EGFR (0.38) PIK3CASYK

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