SCHEMBL6016599

SCHEMBL6016599

OCCCc1n[nH]c2cc(Nc3ncc(F)c(Nc4ccc5c(c4)OCCO5)n3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.62
EGFR P00533 2/20 0.51
CDK1 P06493 2/20 0.46
KDR P35968 1/20 0.46
CHEK1 O14757 1/20 0.45
FLT3 P36888 1/20 0.45
STK17A Q9UEE5 2/20 0.45
STK17B O94768 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
SCHEMBL6016654 0.95 SYK (0.64) SYKEGFRCDK1CHEK1FLT3
SCHEMBL6016192 0.93 SYK (0.62) SYKEGFRCDK1KDRCHEK1
SCHEMBL6016559 0.88 SYK (0.64) SYKEGFRCHEK1FLT3STK17A
SCHEMBL6016257 0.84 SYK (0.59) SYKEGFR
SCHEMBL6016702 0.84 SYK (0.59) SYKEGFR
SCHEMBL6016351 0.84 SYK (0.64) SYKEGFR
SCHEMBL6016543 0.84 SYK (0.55) SYKEGFRSTK17A
SCHEMBL6016150 0.83 SYK (0.62) SYK
SCHEMBL6016729 0.81 SYK (0.60) SYK
SCHEMBL6016718 0.79 SYK (0.69) 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