SCHEMBL3362594

SCHEMBL3362594

Cc1cc(Nc2nc(-c3ccc(N)nc3)cc3c2C(=O)[N]C=C3)ccc1N1CCO[C@H](C)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.55
SYK P43405 7/20 0.38
TNK2 Q07912 5/20 0.35
PIK3CA P42336 2/20 0.34
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
SMO Q99835 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MAP3K12 Q12852 1/20 0.33
CD63 P08962 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL3358663 0.93 ZAP70 (0.57) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359539 0.92 ZAP70 (0.65) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359176 0.90 ZAP70 (0.54) ZAP70SYKTNK2PIK3CAMTOR
SCHEMBL3362713 0.89 ZAP70 (0.56) ZAP70SYKTNK2PIK3CAMTOR
SCHEMBL3359423 0.89 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359065 0.89 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359939 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3357730 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3356729 0.86 ZAP70 (0.53) ZAP70SYKPIK3CAJAK2
SCHEMBL3362937 0.85 ZAP70 (0.48) ZAP70SYKSMOJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed