SCHEMBL3712339

SCHEMBL3712339

CCN(c1ccccc1)c1nc(Nc2ccc(Cl)c(NC(C)=O)c2)ncc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.42
MAPK8 P45983 2/20 0.42
EGFR P00533 1/20 0.41
MAPK10 P53779 4/20 0.41
SYK P43405 4/20 0.41
STAT6 P42226 1/20 0.41
WEE1 P30291 2/20 0.40
ALK Q9UM73 1/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 1/20 0.40
IGF1R P08069 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL3714499 0.91 MAPK9 (0.44) MAPK9MAPK8EGFRMAPK10SYK
SCHEMBL3715520 0.89 MAPK9 (0.43) MAPK9MAPK8EGFRMAPK10SYK
SCHEMBL3713182 0.89 SYK (0.42) MAPK9MAPK8EGFRMAPK10SYK
SCHEMBL3715840 0.86 SYK (0.47) SYK
SCHEMBL3714738 0.86 EGFR (0.53) MAPK9MAPK8EGFRSYKAURKA
SCHEMBL3715958 0.86 MAPK9 (0.46) MAPK9MAPK8EGFRMAPK10SYK
SCHEMBL3721800 0.80 SYK (0.46) MAPK9MAPK8EGFRSYKAURKB
SCHEMBL913880 0.79 STAT6 (0.62) SYKSTAT6JAK2JAK1JAK3
SCHEMBL3720749 0.77 CCNT1 (0.51) MAPK9MAPK8EGFRSYKALK
SCHEMBL3712344 0.77 JAK3 (0.59) SYKSTAT6JAK2JAK1JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed