SCHEMBL3359006

SCHEMBL3359006

CC(=O)N1CCC(c2ccc(Nc3nc(-c4cccc(C)n4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.43
ZAP70 P43403 1/20 0.40
SYK P43405 1/20 0.40
WNT3A P56704 1/20 0.37
BRD4 O60885 4/20 0.37
JAK2 O60674 2/20 0.37
AXL P30530 1/20 0.37
CREBBP Q92793 2/20 0.37
JAK3 P52333 2/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
QDPR P09417 1/20 0.35
FLT3 P36888 1/20 0.35
PTK2 Q05397 1/20 0.34
SOS1 Q07889 2/20 0.34

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
SCHEMBL3361998 0.90 ZAP70 (0.42) BTKZAP70BRD4JAK2JAK3
SCHEMBL3359787 0.87 SLC18A3 (0.36) BTKZAP70SYKBRD4
SCHEMBL3360902 0.87 SYK (0.39) BTKZAP70SYKBRD4JAK2
SCHEMBL3359108 0.86 ZAP70 (0.44) BTKZAP70SYKWNT3ABRD4
SCHEMBL3362356 0.85 BTK (0.38) BTKZAP70SYKBRD4JAK2
SCHEMBL3360647 0.84 ZAP70 (0.43) BTKZAP70SYKBRD4JAK2
SCHEMBL3362321 0.84 TGFBR1 (0.35) BTKZAP70BRD4EGFR
SCHEMBL3359236 0.83 ZAP70 (0.39) BTKZAP70SYKWNT3ABRD4
SCHEMBL3358964 0.83 ZAP70 (0.44) BTKZAP70SYKWNT3ABRD4
SCHEMBL3359078 0.82 ZAP70 (0.39) BTKZAP70SYKWNT3ABRD4

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