SCHEMBL3362565

SCHEMBL3362565

COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C(C)=O)CC5)c(C)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.40
SOS1 Q07889 4/20 0.35
TGFBR1 P36897 2/20 0.34
TGFBR2 P37173 1/20 0.34
BTK Q06187 3/20 0.33
ERBB2 P04626 2/20 0.33
JAK2 O60674 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
EGFR P00533 2/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL3358792 0.91 ZAP70 (0.42) ZAP70TGFBR1JAK2TBK1EGFR
SCHEMBL3362284 0.87 ZAP70 (0.39) ZAP70TGFBR1ERBB2JAK2TBK1
SCHEMBL3358711 0.85 PDE10A (0.36) ZAP70SOS1BTKPDE10A
SCHEMBL3359512 0.84 ZAP70 (0.51) ZAP70SOS1BTKTBK1
SCHEMBL3358576 0.83 ZAP70 (0.40) ZAP70SOS1BTKPDE10A
SCHEMBL3357832 0.83 ZAP70 (0.42) ZAP70SOS1BTK
SCHEMBL1158133 0.83 ZAP70 (0.48) ZAP70SOS1ERBB2JAK2TBK1
SCHEMBL3359006 0.81 BTK (0.43) ZAP70SOS1BTKJAK2EGFR
SCHEMBL1158541 0.80 ZAP70 (0.49) ZAP70TGFBR1JAK2TBK1
SCHEMBL1049107 0.80 ZAP70 (0.63) 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 claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed