SCHEMBL6016153

SCHEMBL6016153

COC(=O)Cc1n[nH]c2ccc(Nc3nc(Nc4ccc(OC(C)C)cc4)ncc3F)cc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.59
AURKA O14965 3/20 0.47
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
BTK Q06187 2/20 0.45
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
LYN P07948 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44
CD69 Q07108 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL6016477 1.00 SYK (0.59) SYKAURKACCNT1CCNE1CDK2
SCHEMBL6016564 0.93 SYK (0.59) SYKAURKACCNT1CCNE1CDK2
SCHEMBL6016228 0.87 SYK (0.62) SYKAURKA
SCHEMBL6016638 0.87 SYK (0.55) SYKAURKACCNT1CCNE1CDK2
SCHEMBL6016711 0.86 SYK (0.62) SYKAURKACDK2JAK2EGFR
SCHEMBL6016259 0.86 SYK (0.62) SYKAURKA
SCHEMBL6016391 0.85 SYK (0.59) SYKAURKA
SCHEMBL6016334 0.85 SYK (0.59) SYKAURKA
SCHEMBL6016128 0.83 SYK (0.69) SYKAURKA
SCHEMBL6016285 0.83 SYK (0.59) SYKEGFR

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