SCHEMBL3356729

SCHEMBL3356729

Cc1cc(Nc2nc(-c3ccc4cn[nH]c4c3)cc3c2C(=O)[N]C=C3)ccc1N1CCO[C@H](C)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.53
SYK P43405 17/20 0.42
BTK Q06187 5/20 0.42
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
ROS1 P08922 1/20 0.39
CSNK2A2 P19784 1/20 0.39
FLT3 P36888 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PTK6 Q13882 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PIK3CA P42336 1/20 0.36

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 0.88 ZAP70 (0.57) ZAP70SYKJAK2
SCHEMBL3359423 0.87 ZAP70 (0.55) ZAP70SYKJAK2
SCHEMBL3359065 0.87 ZAP70 (0.55) ZAP70SYKJAK2
SCHEMBL3359539 0.87 ZAP70 (0.65) ZAP70SYKJAK2
SCHEMBL3362594 0.86 ZAP70 (0.55) ZAP70SYKJAK2PIK3CA
SCHEMBL3359176 0.85 ZAP70 (0.54) ZAP70SYKJAK2PIK3CA
SCHEMBL3362713 0.84 ZAP70 (0.56) ZAP70SYKJAK2PIK3CA
SCHEMBL3357730 0.83 ZAP70 (0.55) ZAP70SYKJAK2
SCHEMBL3359939 0.83 ZAP70 (0.55) ZAP70SYKJAK2
SCHEMBL3360938 0.83 ZAP70 (0.49) ZAP70JAK2

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed