SCHEMBL6016430

SCHEMBL6016430

CCOC(=O)CCc1n[nH]c2ccc(Nc3nc(Nc4ccc5c(c4)OCCO5)ncc3F)cc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.55
EGFR P00533 2/20 0.50
STK17A Q9UEE5 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6016130 1.00 SYK (0.55) SYKEGFRSTK17ALMNAMAPT
SCHEMBL6016543 0.94 SYK (0.55) SYKEGFRSTK17ALMNAMAPT
SCHEMBL6016118 0.87 SYK (0.48) SYKEGFRSTK17A
SCHEMBL6016285 0.87 SYK (0.59) SYKEGFR
SCHEMBL6016415 0.87 SYK (0.59) SYKEGFR
SCHEMBL6016559 0.86 SYK (0.64) SYKEGFRSTK17A
SCHEMBL6016262 0.85 SYK (0.63) SYK
SCHEMBL6016290 0.85 SYK (0.47) SYKEGFR
SCHEMBL6016192 0.84 SYK (0.62) SYKEGFRSTK17A
SCHEMBL6016638 0.84 SYK (0.55) SYKEGFRSTK17A

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