SCHEMBL3362432

SCHEMBL3362432

Cc1ccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.38
BTK Q06187 2/20 0.35
WEE1 P30291 2/20 0.35
ZAP70 P43403 1/20 0.35
IGF1R P08069 1/20 0.35
JAK3 P52333 5/20 0.34
EGFR P00533 2/20 0.34
LCK P06239 2/20 0.34
STK17A Q9UEE5 1/20 0.34
SYK P43405 3/20 0.34
JAK2 O60674 3/20 0.34
PTK2 Q05397 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
ALK Q9UM73 1/20 0.33
TYK2 P29597 1/20 0.33
BRD4 O60885 1/20 0.32
JAK1 P23458 1/20 0.32
BRD2 P25440 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
SCHEMBL3358388 0.88 MAP3K12 (0.39) TNK2BTKWEE1ZAP70IGF1R
SCHEMBL3362356 0.85 BTK (0.38) TNK2BTKWEE1ZAP70IGF1R
SCHEMBL3363275 0.83 ZAP70 (0.38) TNK2BTKWEE1ZAP70IGF1R
SCHEMBL3359197 0.83 ALK (0.34) TNK2BTKIGF1RJAK3EGFR
SCHEMBL3360064 0.83 ACVR1 (0.34) TNK2BTKWEE1IGF1RJAK3
SCHEMBL3362371 0.83 SYK (0.38) TNK2BTKWEE1ZAP70STK17A
SCHEMBL3359641 0.82 ZAP70 (0.41) TNK2ZAP70JAK3SYKJAK2
SCHEMBL3358746 0.82 ZAP70 (0.43) WEE1ZAP70JAK3EGFRLCK
SCHEMBL3359794 0.81 JAK2 (0.38) BTKWEE1ZAP70JAK3SYK
SCHEMBL3360058 0.80 JAK3 (0.40) ZAP70JAK3SYKJAK2PTK2

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