SCHEMBL3362356

SCHEMBL3362356

Cc1cccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
WEE1 P30291 2/20 0.37
IGF1R P08069 1/20 0.37
TYK2 P29597 2/20 0.36
ALK Q9UM73 1/20 0.34
JAK2 O60674 6/20 0.33
JAK3 P52333 5/20 0.33
PTK2 Q05397 4/20 0.33
TNK2 Q07912 2/20 0.33
SYK P43405 2/20 0.33
BRD4 O60885 2/20 0.33
JAK1 P23458 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
HTR2C P28335 1/20 0.32
ZAP70 P43403 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
SCHEMBL3359794 0.89 JAK2 (0.38) BTKWEE1TYK2ALKJAK2
SCHEMBL3361998 0.89 ZAP70 (0.42) BTKWEE1ALKJAK2JAK3
SCHEMBL3360902 0.85 SYK (0.39) BTKTYK2JAK2JAK3PTK2
SCHEMBL3359006 0.85 BTK (0.43) BTKJAK2JAK3PTK2SYK
SCHEMBL3360064 0.85 ACVR1 (0.34) BTKWEE1IGF1RTYK2JAK3
SCHEMBL3358388 0.85 MAP3K12 (0.39) BTKWEE1IGF1RTYK2JAK3
SCHEMBL3362432 0.85 TNK2 (0.38) BTKWEE1IGF1RTYK2ALK
SCHEMBL3359787 0.84 SLC18A3 (0.36) BTKALKSYKBRD4ZAP70
SCHEMBL3362321 0.83 TGFBR1 (0.35) BTKIGF1RTYK2BRD4ZAP70
SCHEMBL3363275 0.82 ZAP70 (0.38) BTKWEE1IGF1RJAK3TNK2

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