SCHEMBL3362463

SCHEMBL3362463

O=C1[N]C=Cc2cc(-c3cccc(N4CCOCC4)n3)nc(Nc3ccc(N4CCOCC4)cc3)c21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.49
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
JAK2 O60674 1/20 0.39
AURKA O14965 5/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
PKMYT1 Q99640 1/20 0.38
LMNA P02545 1/20 0.37
PLK4 O00444 1/20 0.37
SYK P43405 1/20 0.37
AURKC Q9UQB9 1/20 0.37

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
SCHEMBL3358985 0.88 ZAP70 (0.43) ZAP70EGFRBTKJAK2AURKA
SCHEMBL3358328 0.86 ZAP70 (0.42) ZAP70EGFRBTKAURKAMAPT
SCHEMBL3358598 0.83 SYK (0.43) ZAP70EGFRJAK2AURKAMAPT
SCHEMBL3359647 0.82 MAPT (0.43) ZAP70AURKAMAPTMAPK1TP53
SCHEMBL3358312 0.82 MAPT (0.46) ZAP70EGFRJAK2AURKAMAPT
SCHEMBL3358947 0.80 CYP2C19 (0.40) ZAP70EGFRJAK2AURKAMAPT
SCHEMBL3358758 0.80 SYK (0.44) ZAP70JAK2AURKAMAPTMAPK1
SCHEMBL3359445 0.80 ZAP70 (0.46) ZAP70BTKJAK2AURKAMAPT
SCHEMBL1159612 0.80 ZAP70 (0.40) ZAP70EGFRBTKMAPTMAPK1
SCHEMBL3362709 0.80 SYK (0.45) ZAP70BTKAURKAMAPTMAPK1

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