SCHEMBL3358328

SCHEMBL3358328

CCNc1cccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.42
ADORA3 P0DMS8 1/20 0.39
BRAF P15056 1/20 0.38
PLK4 O00444 1/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKA O14965 2/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
AURKB Q96GD4 1/20 0.37
IGF1R P08069 1/20 0.36
BRD4 O60885 2/20 0.36
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL3358985 0.91 ZAP70 (0.43) ZAP70BRAFPLK4FGFR1SRC
SCHEMBL3362463 0.86 ZAP70 (0.49) ZAP70PLK4MAPTTP53MAPK1
SCHEMBL3358598 0.80 SYK (0.43) ZAP70PLK4FGFR1SRCMAPT
SCHEMBL3358312 0.79 MAPT (0.46) ZAP70PLK4FGFR1SRCMAPT
SCHEMBL3359647 0.79 MAPT (0.43) ZAP70BRAFMAPTTP53MAPK1
SCHEMBL3358758 0.78 SYK (0.44) ZAP70MAPTTP53MAPK1AURKA
SCHEMBL3359805 0.78 ZAP70 (0.42) ZAP70FGFR1SRCMAPTMAPK1
SCHEMBL3358947 0.78 CYP2C19 (0.40) ZAP70MAPTTP53MAPK1AURKA
SCHEMBL3359445 0.78 ZAP70 (0.46) ZAP70BRAFMAPTAURKAAURKB
SCHEMBL3362709 0.78 SYK (0.45) ZAP70FGFR1SRCMAPTTP53

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