SCHEMBL3638560

SCHEMBL3638560

NC(=O)c1cccnc1NC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
KCNH2 Q12809 6/20 0.49
ATM Q13315 3/20 0.49
ATR Q13535 1/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL21774760 0.92 MAPT (0.45) MAPK1KCNH2ATMATRMAPT
SCHEMBL30115228 0.92 MAPT (0.47) MAPK1KCNH2ATMATRMAPT
SCHEMBL4584445 0.90 MAPT (0.55) KCNH2MAPTHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22609596 0.88 MAPT (0.54) KCNH2MAPTHTTKDM4EALDH1A1
SCHEMBL30260224 0.87 MAPK1 (0.51) MAPK1MAPTHTTKDM4EALDH1A1
SCHEMBL2718370 0.87 SYK (0.53) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL3718998 0.87 MAPT (0.52) KCNH2ATMATRMAPTHTT
SCHEMBL28282980 0.84 MAPK8 (0.52) MAPTHTTKDM4EALDH1A1HPGD
SCHEMBL28284467 0.80 BTK (0.49) KCNH2MAPTHTTKDM4EALDH1A1
SCHEMBL28079567 0.80 RPS6KB1 (0.65) MAPK1KCNH2MAPTHTTKDM4E

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-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP claimed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO claimed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO claimed