SCHEMBL3359236

SCHEMBL3359236

CC(=O)N1CCC(c2ccc(Nc3nc(-c4ccc(F)nc4C)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.38
BTK Q06187 4/20 0.37
JAK3 P52333 2/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
WNT3A P56704 1/20 0.36
AXL P30530 1/20 0.36
BRD4 O60885 3/20 0.36
CREBBP Q92793 2/20 0.36
JAK2 O60674 2/20 0.35
QDPR P09417 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PTK2 Q05397 1/20 0.33
MARK3 P27448 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FLT3 P36888 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
SCHEMBL3359078 0.93 ZAP70 (0.39) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359724 0.90 ZAP70 (0.40) ZAP70BTKJAK3EGFRLCK
SCHEMBL3362051 0.87 ZAP70 (0.44) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359665 0.85 SYK (0.43) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359006 0.83 BTK (0.43) ZAP70SYKBTKJAK3EGFR
SCHEMBL3358980 0.83 ZAP70 (0.43) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359489 0.83 ZAP70 (0.43) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359108 0.83 ZAP70 (0.44) ZAP70SYKBTKJAK3EGFR
SCHEMBL3358964 0.81 ZAP70 (0.44) ZAP70SYKBTKJAK3EGFR
SCHEMBL3360647 0.81 ZAP70 (0.43) ZAP70SYKBTKJAK3EGFR

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