SCHEMBL3358388

SCHEMBL3358388

Cc1ccnc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.39
SYK P43405 4/20 0.36
EGFR P00533 2/20 0.36
LCK P06239 2/20 0.36
JAK3 P52333 2/20 0.36
BTK Q06187 2/20 0.35
WEE1 P30291 1/20 0.35
ZAP70 P43403 1/20 0.35
IGF1R P08069 1/20 0.35
ACVR1 Q04771 1/20 0.34
TYK2 P29597 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
TNK2 Q07912 2/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 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
SCHEMBL3362432 0.88 TNK2 (0.38) SYKEGFRLCKJAK3BTK
SCHEMBL3360064 0.86 ACVR1 (0.34) SYKEGFRLCKJAK3BTK
SCHEMBL3362356 0.85 BTK (0.38) SYKJAK3BTKWEE1ZAP70
SCHEMBL3359197 0.83 ALK (0.34) SYKEGFRLCKJAK3BTK
SCHEMBL3363275 0.82 ZAP70 (0.38) SYKEGFRLCKJAK3BTK
SCHEMBL3362371 0.81 SYK (0.38) SYKBTKWEE1ZAP70TNK2
SCHEMBL3359794 0.81 JAK2 (0.38) SYKJAK3BTKWEE1ZAP70
SCHEMBL3359641 0.80 ZAP70 (0.41) SYKJAK3ZAP70ACVR1TNK2
SCHEMBL3360058 0.80 JAK3 (0.40) SYKJAK3ZAP70
SCHEMBL3359057 0.78 SYK (0.41) SYKZAP70

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