SCHEMBL3359180

SCHEMBL3359180

O=C1[N]C=Cc2cc(-c3cncc(C(F)(F)F)c3)nc(Nc3ccc(N4CCOCC4)cc3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
NR4A1 P22736 1/20 0.50
SYK P43405 4/20 0.43
CD63 P08962 2/20 0.43
ZAP70 P43403 3/20 0.41
AURKA O14965 5/20 0.41
AURKC Q9UQB9 1/20 0.40
BTK Q06187 3/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
YES1 P07947 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
STAT6 P42226 1/20 0.37
BRAF P15056 2/20 0.37

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 0.83 SYK (0.41) SYKCD63ZAP70AURKAAURKC
SCHEMBL3358781 0.82 SYK (0.41) SYKCD63ZAP70AURKAAURKC
SCHEMBL3358248 0.81 ZAP70 (0.44) MAPTTSHRNR4A1SYKZAP70
SCHEMBL3359647 0.81 MAPT (0.43) MAPTTSHRNR4A1SYKCD63
SCHEMBL3362709 0.81 SYK (0.45) MAPTSYKCD63ZAP70AURKA
SCHEMBL3359445 0.81 ZAP70 (0.46) MAPTSYKZAP70AURKABTK
SCHEMBL27826725 0.81 MAPT (0.48) MAPTTSHRNR4A1SYKCD63
SCHEMBL3361347 0.80 ZAP70 (0.42) MAPTTSHRNR4A1SYKCD63
SCHEMBL3362714 0.80 ABL1 (0.45) MAPTTSHRNR4A1SYKCD63
SCHEMBL3359805 0.80 ZAP70 (0.42) MAPTTSHRNR4A1SYKCD63

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