SCHEMBL6016293

SCHEMBL6016293

OCCCc1n[nH]c2ccc(Nc3ncc(F)c(Nc4ccc(Cl)nc4)n3)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.45
BCL6 P41182 3/20 0.44
AURKA O14965 2/20 0.42
CDK1 P06493 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
TRPA1 O75762 1/20 0.41
KCNQ1 P51787 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL3101241 0.86 SYK (0.61) SYKAURKA
SCHEMBL3089169 0.84 SYK (0.55) SYKBCL6
SCHEMBL6016263 0.84 SYK (0.48) SYKAURKACDK1KCNQ3KCNQ2
SCHEMBL6016290 0.83 SYK (0.47) SYK
SCHEMBL6016192 0.83 SYK (0.62) SYKCDK1
SCHEMBL6016685 0.83 SYK (0.63) SYKAURKA
SCHEMBL6016259 0.83 SYK (0.62) SYKAURKA
SCHEMBL6016765 0.80 SYK (0.63) SYKAURKA
SCHEMBL6016269 0.80 SYK (0.63) SYKAURKA
SCHEMBL6016150 0.79 SYK (0.62) 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