SCHEMBL6016271

SCHEMBL6016271

Cc1n[nH]c2ccc(Nc3ncc(F)c(Nc4cccc(OC(F)(F)F)c4)n3)cc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.71
EGFR P00533 4/20 0.61
ITK Q08881 3/20 0.61
BTK Q06187 1/20 0.54
CTSC P53634 1/20 0.53
AURKA O14965 2/20 0.52

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
SCHEMBL6016685 0.86 SYK (0.63) SYKEGFRITKBTKCTSC
SCHEMBL6016323 0.85 SYK (0.58) SYKEGFRITKAURKA
SCHEMBL656652 0.84 SYK (1.00) SYKEGFRITKBTKCTSC
SCHEMBL6016437 0.84 SYK (0.59) SYKAURKA
SCHEMBL6016596 0.84 SYK (0.68) SYKAURKA
SCHEMBL4935260 0.84 SYK (0.68) SYKAURKA
SCHEMBL657388 0.83 SYK (0.77) SYKEGFRITKBTKCTSC
SCHEMBL6016309 0.83 SYK (0.56) SYKEGFRITKBTK
SCHEMBL6016199 0.82 SYK (0.52) SYKITKBTKAURKA
SCHEMBL6017059 0.82 SYK (0.66) SYKEGFRITK

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