SCHEMBL3360064

SCHEMBL3360064

CSc1nccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.34
SYK P43405 4/20 0.33
TNK2 Q07912 2/20 0.33
TYK2 P29597 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
WEE1 P30291 1/20 0.33
IGF1R P08069 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
JAK3 P52333 1/20 0.32
STK17A Q9UEE5 1/20 0.32
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 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
SCHEMBL3363275 0.87 ZAP70 (0.38) ACVR1SYKTNK2WEE1IGF1R
SCHEMBL3358388 0.86 MAP3K12 (0.39) ACVR1SYKTNK2TYK2WEE1
SCHEMBL3362356 0.85 BTK (0.38) SYKTNK2TYK2WEE1IGF1R
SCHEMBL3362432 0.83 TNK2 (0.38) SYKTNK2TYK2WEE1IGF1R
SCHEMBL3359794 0.81 JAK2 (0.38) SYKTYK2WEE1JAK3BTK
SCHEMBL3362371 0.80 SYK (0.38) SYKTNK2CDK1CDK4CCNB1
SCHEMBL3359641 0.79 ZAP70 (0.41) ACVR1SYKTNK2JAK3TGFBR1
SCHEMBL3360058 0.79 JAK3 (0.40) SYKJAK3
SCHEMBL27806151 0.78 ACVR1 (0.33) ACVR1SYKCDK1CDK4CCNB1
SCHEMBL1047756 0.78 ZAP70 (0.53) SYK

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