SCHEMBL3358415

SCHEMBL3358415

CC(C)Oc1cncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.41
CD63 P08962 2/20 0.41
FYN P06241 1/20 0.41
AURKA O14965 5/20 0.40
ZAP70 P43403 3/20 0.40
ABL1 P00519 3/20 0.39
NTRK1 P04629 3/20 0.39
YES1 P07947 3/20 0.39
KDR P35968 3/20 0.39
PIM1 P11309 2/20 0.39
MAPK1 P28482 2/20 0.39
HIPK1 Q86Z02 2/20 0.39
AURKC Q9UQB9 1/20 0.38
BRAF P15056 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BRD4 O60885 2/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL3358781 0.85 SYK (0.41) SYKCD63AURKAZAP70ABL1
SCHEMBL3359180 0.83 MAPT (0.50) SYKCD63AURKAZAP70ABL1
SCHEMBL3359671 0.83 ZAP70 (0.46) SYKZAP70BRD4
SCHEMBL3362714 0.81 ABL1 (0.45) SYKCD63AURKAZAP70ABL1
SCHEMBL3362709 0.81 SYK (0.45) SYKCD63AURKAZAP70MAPK1
SCHEMBL3359647 0.81 MAPT (0.43) SYKCD63AURKAZAP70MAPK1
SCHEMBL3361347 0.79 ZAP70 (0.42) SYKCD63AURKAZAP70ABL1
SCHEMBL3359805 0.79 ZAP70 (0.42) SYKCD63AURKAZAP70ABL1
SCHEMBL3359957 0.79 SYK (0.43) SYKAURKAZAP70ABL1KDR
SCHEMBL1044249 0.78 ZAP70 (0.67) 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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed