SCHEMBL3358595

SCHEMBL3358595

COc1cccc(-c2cc3c(c(Nc4ccc(N5CCO[C@H](C)C5)c(F)c4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.38
BTK Q06187 2/20 0.35
EGFR P00533 2/20 0.35
LRRK2 Q5S007 3/20 0.33
TGFBR1 P36897 1/20 0.33
AKT1 P31749 2/20 0.33
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
P2RX3 P56373 2/20 0.32
WEE1 P30291 1/20 0.31
KIF18A Q8NI77 1/20 0.31
SYK P43405 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL3359372 0.90 TGFBR1 (0.40) BTKEGFRTGFBR1LCKJAK3
SCHEMBL3362516 0.86 ZAP70 (0.47) ZAP70BTKEGFRLRRK2LCK
SCHEMBL3362890 0.85 ZAP70 (0.39) ZAP70BTKEGFRLRRK2AKT1
SCHEMBL3358405 0.84 ZAP70 (0.46) ZAP70BTKEGFRLRRK2AKT1
SCHEMBL3359505 0.83 ZAP70 (0.47) ZAP70BTKEGFRJAK3SYK
SCHEMBL3360218 0.83 ZAP70 (0.48) ZAP70AKT1JAK3KIF18ASYK
SCHEMBL3361973 0.83 ZAP70 (0.47) ZAP70LRRK2JAK3P2RX3SYK
SCHEMBL3362937 0.83 ZAP70 (0.48) ZAP70BTKEGFRJAK3SYK
SCHEMBL3359492 0.81 ZAP70 (0.46) ZAP70BTKEGFRJAK3KIF18A
SCHEMBL1049067 0.81 ZAP70 (0.60) ZAP70LRRK2

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