SCHEMBL6016155

SCHEMBL6016155

COC(=O)c1cc2cc(Nc3ncc(F)c(Nc4ccc5c(CCC(=O)O)n[nH]c5c4)n3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.48
CDK2 P24941 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK9 P50750 1/20 0.41
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
INSR P06213 1/20 0.40

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
SCHEMBL6016137 0.91 SYK (0.46) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL657212 0.83 SYK (0.61) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL658047 0.79 SYK (0.48) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL657611 0.78 SYK (0.56) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL658046 0.77 SYK (0.52) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL654340 0.77 SYK (0.55) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL656164 0.77 SYK (0.62) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL655901 0.77 SYK (0.58) SYKCDK2CCNT1CCNE1CDK9
SCHEMBL655767 0.77 SYK (0.73) SYKAURKA
SCHEMBL656355 0.76 SYK (0.59) SYKCDK2CCNT1CCNE1CDK9

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