SCHEMBL3359057

SCHEMBL3359057

CC(C)S(=O)(=O)c1ccc(-c2cc3c(c(Nc4ccc(C5CCNCC5)cc4)n2)C(=O)[N]C=C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.41
ALK Q9UM73 5/20 0.40
ATR Q13535 1/20 0.37
ZAP70 P43403 3/20 0.35
INSR P06213 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 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
SCHEMBL3360058 0.91 JAK3 (0.40) SYKALKZAP70
SCHEMBL3357802 0.91 ALK (0.39) SYKALKZAP70INSRKCNH2
SCHEMBL3360308 0.87 SYK (0.44) SYKALKZAP70INSR
SCHEMBL3362371 0.82 SYK (0.38) SYKZAP70
SCHEMBL3363275 0.81 ZAP70 (0.38) SYKZAP70
SCHEMBL3358854 0.81 ALK (0.53) SYKALKZAP70INSRKCNH2
SCHEMBL1048357 0.79 ZAP70 (0.57) SYKALKZAP70
SCHEMBL3362356 0.79 BTK (0.38) SYKALKZAP70
SCHEMBL3359025 0.78 SYK (0.42) SYKALKZAP70
SCHEMBL3358388 0.78 MAP3K12 (0.39) 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