SCHEMBL3361810

SCHEMBL3361810

COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(CCCC(F)(F)F)CC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.39
EGFR P00533 2/20 0.37
ZAP70 P43403 3/20 0.36
HRH3 Q9Y5N1 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
TGFBR1 P36897 2/20 0.33
CAMK2D Q13557 1/20 0.33
CCR2 P41597 3/20 0.32
MAP4K1 Q92918 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
PTK2 Q05397 2/20 0.32
LCK P06239 1/20 0.32
BTK Q06187 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
SCHEMBL3359028 0.91 ZAP70 (0.41) TLR9EGFRZAP70HRH3MCHR1
SCHEMBL3358208 0.90 TLR9 (0.40) TLR9EGFRZAP70HRH3HTR1A
SCHEMBL3359794 0.84 JAK2 (0.38) ZAP70JAK2JAK3PTK2BTK
SCHEMBL3359058 0.83 ZAP70 (0.42) TLR9EGFRZAP70HRH3CCR2
SCHEMBL3362321 0.83 TGFBR1 (0.35) EGFRZAP70HRH3MCHR1HTR1A
SCHEMBL1049336 0.81 ZAP70 (0.56) TLR9EGFRZAP70
SCHEMBL3362284 0.81 ZAP70 (0.39) TLR9ZAP70HTR1ADRD2DRD4
SCHEMBL3359787 0.80 SLC18A3 (0.36) TLR9ZAP70HTR1ADRD2DRD4
SCHEMBL3358792 0.78 ZAP70 (0.42) EGFRZAP70TGFBR1JAK2
SCHEMBL3361998 0.78 ZAP70 (0.42) EGFRZAP70MAP4K1JAK2JAK3

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