SCHEMBL18263129

SCHEMBL18263129

COc1ccc(-c2cnc(N)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.66
CHEK2 O96017 3/20 0.58
MAP4K4 O95819 1/20 0.58
DYRK1A Q13627 1/20 0.50
TGFBR1 P36897 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL18263116 0.83 FYN (0.69) FYNCHEK2MAP4K4DYRK1ATGFBR1
SCHEMBL18240070 0.81 FYN (0.58) FYNCHEK2MAP4K4CLK1
SCHEMBL28824279 0.80 FYN (0.57) FYNCHEK2MAP4K4DYRK1ATGFBR1
SCHEMBL18613248 0.80 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL27902100 0.78 KCNH2 (0.70) FYNCHEK2MAP4K4TGFBR1
SCHEMBL488290 0.78 IKBKE (0.59) FYNCHEK2MAP4K4PDGFRB
SCHEMBL28790793 0.78 FYN (0.48) FYNCHEK2TGFBR1TP53MAPK1
SCHEMBL18263118 0.77 MAP4K4 (0.58) MAP4K4
SCHEMBL18263141 0.77 FYN (0.57) FYNCHEK2MAP4K4DYRK1ACLK1
SCHEMBL488494 0.77 USP7 (0.62) FYNCHEK2MAP4K4MAPTHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145935-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2017-03-29 EP disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed