SCHEMBL17610539

SCHEMBL17610539

Nc1ncc(C(=O)NC2COC2)c(-c2cnc3ccccc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
MAP4K4 O95819 2/20 0.41
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
DYRK1A Q13627 2/20 0.39
ALOX5AP P20292 1/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
ABL1 P00519 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CD O00329 1/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL17610537 0.83 HPGDS (0.45) HPGDSMAP4K4JAK1JAK3DYRK1A
SCHEMBL17610508 0.78 MGAM (0.50) MAP4K4DYRK1AALOX5APMTORPIK3CD
SCHEMBL17610492 0.78 IKBKB (0.49) MAP4K4DYRK1AMTORMGAMCHEK1
SCHEMBL17610475 0.71 HPGDS (0.50) HPGDSDYRK1AHDAC1CLK4CLK2
SCHEMBL856589 0.68 ADORA1 (0.58) DYRK1AALOX5APBMPR1BPIK3C2GCDKL5
SCHEMBL17610545 0.66 ADORA2A (0.68) DYRK1AABL1MTORPIK3CDEGFR
SCHEMBL14391613 0.65 HDAC8 (0.43) HPGDS
SCHEMBL17610538 0.65 MGAM (0.43) HPGDSMAP4K4PIK3CDKDRMGAM
SCHEMBL29818168 0.65 PDGFRB (0.62) MAP4K4DYRK1AMTORPIK3CDPIK3CA
SCHEMBL531094 0.64 HPGDS (0.72) HPGDSCXCR4MGAMDPP4DPP7

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-3193611-A2 MK2 INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-07-26 EP disclosed
WO-2016044463-A2 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-24 WO disclosed