SCHEMBL3358781

SCHEMBL3358781

CC(C)S(=O)(=O)c1cncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.41
CD63 P08962 2/20 0.41
AURKA O14965 5/20 0.39
ZAP70 P43403 2/20 0.39
BRD4 O60885 3/20 0.38
AURKC Q9UQB9 1/20 0.38
EGFR P00533 1/20 0.37
BRAF P15056 1/20 0.36
AURKB Q96GD4 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
BTK Q06187 1/20 0.36
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
YES1 P07947 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
HIPK1 Q86Z02 1/20 0.35

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
SCHEMBL3358415 0.85 SYK (0.41) SYKCD63AURKAZAP70BRD4
SCHEMBL3359180 0.82 MAPT (0.50) SYKCD63AURKAZAP70AURKC
SCHEMBL3357802 0.81 ALK (0.39) SYKZAP70JAK2JAK3
SCHEMBL3362709 0.80 SYK (0.45) SYKCD63AURKAZAP70BRD4
SCHEMBL3359647 0.80 MAPT (0.43) SYKCD63AURKAZAP70AURKC
SCHEMBL3359805 0.79 ZAP70 (0.42) SYKCD63AURKAZAP70AURKC
SCHEMBL3362714 0.79 ABL1 (0.45) SYKCD63AURKAZAP70AURKC
SCHEMBL3361347 0.79 ZAP70 (0.42) SYKCD63AURKAZAP70AURKC
SCHEMBL1047722 0.79 ZAP70 (0.66) SYKZAP70
SCHEMBL3358764 0.78 SYK (0.42) SYKCD63AURKAZAP70BRD4

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed