SCHEMBL11335352

SCHEMBL11335352

O=C(O)N1CCN(c2ccc(Nc3nc(Cc4c(F)cccc4Cl)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.54
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SYK P43405 2/20 0.38
JAK2 O60674 1/20 0.38
ALK Q9UM73 1/20 0.37
EGFR P00533 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CLEC4M Q9H2X3 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL15795636 0.89 ZAP70 (0.49) ZAP70JAK2
SCHEMBL15795376 0.89 ZAP70 (0.55) ZAP70KDM4EMEN1ALDH1A1MAPT
SCHEMBL15794955 0.83 ZAP70 (0.58) ZAP70ALK
SCHEMBL11344864 0.81 ZAP70 (0.56) ZAP70SYKJAK2ALKEGFR
SCHEMBL11331125 0.74 JAK2 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11441265 0.73 CCND3 (0.48) ZAP70MEN1MAPTKMT2ASYK
SCHEMBL11296438 0.71 WEE1 (0.44) ZAP70SYKALK
SCHEMBL11296289 0.71 ALK (0.50) JAK2ALKEGFR
SCHEMBL1048459 0.70 ZAP70 (1.00) ZAP70SYKJAK2
SCHEMBL1047692 0.70 ZAP70 (0.79) ZAP70SYKJAK2ALK

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-2665725-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097683-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed