SCHEMBL6016437

SCHEMBL6016437

COc1cc(Nc2ncc(F)c(Nc3ccc4[nH]nc(C)c4c3)n2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.59
AURKA O14965 6/20 0.57
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
CDK1 P06493 1/20 0.47
CCNT1 O60563 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL6016199 0.86 SYK (0.52) SYKAURKAJAK2JAK3CDK1
SCHEMBL6016263 0.85 SYK (0.48) SYKAURKACDK1
SCHEMBL3857488 0.85 SYK (0.53) SYKAURKAJAK2JAK3CDK1
SCHEMBL6016128 0.84 SYK (0.69) SYKAURKACDK1
SCHEMBL6016271 0.84 SYK (0.71) SYKAURKA
SCHEMBL6016759 0.84 SYK (0.49) SYKAURKACDK1
SCHEMBL6016596 0.82 SYK (0.68) SYKAURKA
SCHEMBL4935260 0.82 SYK (0.68) SYKAURKA
SCHEMBL6016380 0.82 SYK (0.44) SYKAURKACDK1
SCHEMBL2103691 0.81 SYK (0.66) SYKAURKAJAK2JAK1JAK3

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