SCHEMBL6016380

SCHEMBL6016380

COc1ccc(Nc2nc(Nc3ccc4[nH]nc(C)c4c3)ncc2F)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.44
AURKA O14965 7/20 0.44
EGFR P00533 3/20 0.42
ITK Q08881 1/20 0.42
CDK1 P06493 1/20 0.41
ULK1 O75385 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL6016437 0.82 SYK (0.59) SYKAURKACDK1
SCHEMBL6016199 0.80 SYK (0.52) SYKAURKAITKCDK1GRM4
SCHEMBL3857488 0.79 SYK (0.53) SYKAURKAEGFRITKCDK1
SCHEMBL6016759 0.78 SYK (0.49) SYKAURKACDK1GRM4
SCHEMBL6016263 0.77 SYK (0.48) SYKAURKACDK1GRM4
SCHEMBL656059 0.77 SYK (0.66) SYKAURKA
SCHEMBL6016128 0.77 SYK (0.69) SYKAURKACDK1
SCHEMBL6016718 0.77 SYK (0.69) SYKEGFRULK1
SCHEMBL6016271 0.76 SYK (0.71) SYKAURKAEGFRITK
SCHEMBL6016596 0.76 SYK (0.68) SYKAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed