SCHEMBL3359787

SCHEMBL3359787

Cc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(CCO)CC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
ZAP70 P43403 2/20 0.36
DRD2 P14416 8/20 0.35
DRD4 P21917 8/20 0.35
HTR1A P08908 6/20 0.35
CSF1R P07333 1/20 0.35
SYK P43405 2/20 0.34
ALDH1A1 P00352 1/20 0.34
BTK Q06187 2/20 0.34
KCNH2 Q12809 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
DRD3 P35462 1/20 0.33
BRD4 O60885 1/20 0.33
EML4 Q9HC35 1/20 0.33
ALK Q9UM73 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
SCHEMBL3362321 0.91 TGFBR1 (0.35) ZAP70DRD2DRD4HTR1ABTK
SCHEMBL3361998 0.90 ZAP70 (0.42) ZAP70BTKKCNH2BRD4EML4
SCHEMBL3359006 0.87 BTK (0.43) ZAP70SYKBTKBRD4
SCHEMBL3359534 0.86 ZAP70 (0.39) SLC18A3ZAP70DRD2DRD4CSF1R
SCHEMBL3360902 0.85 SYK (0.39) ZAP70HTR1ASYKBTKBRD4
SCHEMBL3362356 0.84 BTK (0.38) ZAP70SYKBTKBRD4ALK
SCHEMBL3358208 0.82 TLR9 (0.40) ZAP70DRD2DRD4HTR1ABTK
SCHEMBL3361810 0.80 TLR9 (0.39) ZAP70DRD2DRD4HTR1ABTK
SCHEMBL3362930 0.79 TLR7 (0.36) ZAP70CSF1RSYKBTKTLR9
SCHEMBL3359920 0.79 IGF1R (0.39) ZAP70SYK

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