SCHEMBL3359805

SCHEMBL3359805

CNc1ccc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.42
SYK P43405 6/20 0.42
BTK Q06187 3/20 0.42
CD63 P08962 2/20 0.41
AURKA O14965 5/20 0.41
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
NTRK1 P04629 2/20 0.39
ABL1 P00519 1/20 0.39
YES1 P07947 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL3362709 0.91 SYK (0.45) ZAP70SYKBTKCD63AURKA
SCHEMBL3362714 0.86 ABL1 (0.45) ZAP70SYKBTKCD63AURKA
SCHEMBL3361347 0.86 ZAP70 (0.42) ZAP70SYKBTKCD63AURKA
SCHEMBL3358764 0.86 SYK (0.42) ZAP70SYKBTKCD63AURKA
SCHEMBL3362308 0.85 JAK2 (0.46) ZAP70SYKBTKCD63AURKA
SCHEMBL3358985 0.85 ZAP70 (0.43) ZAP70BTKAURKAFGFR1SRC
SCHEMBL3358248 0.83 ZAP70 (0.44) ZAP70SYKBTKMAPTTSHR
SCHEMBL3358758 0.81 SYK (0.44) ZAP70SYKCD63AURKAMAPT
SCHEMBL3359647 0.81 MAPT (0.43) ZAP70SYKCD63AURKAMAPT
SCHEMBL3362540 0.80 SYK (0.44) ZAP70SYKCD63AURKAAKT1

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