SCHEMBL6016199

SCHEMBL6016199

Cc1n[nH]c2ccc(Nc3ncc(F)c(Nc4ccc(F)c(F)c4)n3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.52
AURKA O14965 7/20 0.52
CDK1 P06493 2/20 0.51
GRM4 Q14833 2/20 0.47
TRPA1 O75762 1/20 0.47
KDR P35968 2/20 0.46
PLK4 O00444 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
FES P07332 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
IGF1R P08069 1/20 0.46
ROS1 P08922 1/20 0.46

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
SCHEMBL3857488 0.91 SYK (0.53) SYKAURKACDK1GRM4KDR
SCHEMBL6016759 0.88 SYK (0.49) SYKAURKACDK1GRM4STK17A
SCHEMBL6016263 0.87 SYK (0.48) SYKAURKACDK1GRM4TRPA1
SCHEMBL6016437 0.86 SYK (0.59) SYKAURKACDK1JAK2CDK2
SCHEMBL6016596 0.86 SYK (0.68) SYKAURKA
SCHEMBL4935260 0.86 SYK (0.68) SYKAURKA
SCHEMBL6016128 0.85 SYK (0.69) SYKAURKACDK1
SCHEMBL6016718 0.85 SYK (0.69) SYKIGF1RSTK17A
SCHEMBL6016171 0.83 GRM4 (0.50) SYKAURKACDK1GRM4TRPA1
SCHEMBL6016271 0.82 SYK (0.71) SYKAURKABTKITK

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