SCHEMBL6016290

SCHEMBL6016290

CCOC(=O)CCc1n[nH]c2ccc(Nc3ncc(F)c(Nc4ccc(Cl)nc4)n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.47
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
EGFR P00533 1/20 0.40
ITK Q08881 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
SCHEMBL6016118 0.92 SYK (0.48) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL6016262 0.88 SYK (0.63) SYK
SCHEMBL6016266 0.87 SYK (0.56) SYKEGFRITK
SCHEMBL6016638 0.86 SYK (0.55) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL6016309 0.86 SYK (0.56) SYKEGFRITK
SCHEMBL6016430 0.85 SYK (0.55) SYKEGFR
SCHEMBL6016130 0.85 SYK (0.55) SYKEGFR
SCHEMBL6016293 0.83 SYK (0.45) SYK
SCHEMBL6016537 0.81 SYK (0.63) SYK
SCHEMBL6016263 0.80 SYK (0.48) SYK

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