SCHEMBL9280599

SCHEMBL9280599

CC(C)Nc1nc(N(C)C)c2ccn(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KCNH3 Q9ULD8 2/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APP P05067 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27920594 0.79 GAA (0.42) JAK2JAK1JAK3KMT2AGAA
SCHEMBL9106683 0.77 APP (0.36) KMT2ALMNAMEN1APPBCHE
SCHEMBL29459700 0.69 CDK4 (0.54) JAK2JAK1JAK3HTTCDK4
SCHEMBL24900120 0.67 S1PR2 (0.45) KMT2AMEN1MAPT
SCHEMBL9103257 0.67 APP (0.35) KMT2AGAAALDH1A1KDM4EHTT
SCHEMBL9104296 0.67 BCDIN3D (0.42) JAK2JAK1JAK3KMT2AGAA
SCHEMBL9235181 0.67 BCDIN3D (0.37) KMT2AGAAHTTLMNAMEN1
SCHEMBL25979373 0.66 MAPK1 (0.45) KMT2AALDH1A1KDM4EHTTLMNA
SCHEMBL26656303 0.66 APP (0.34) KMT2AGAAALDH1A1KDM4EHTT
SCHEMBL9235868 0.65 CYP1A2 (0.35) KMT2ALMNAMEN1APPBCHE

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-2646423-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES Galleon Pharmaceuticals, Inc. (US) 2013-10-09 EP disclosed
WO-2012074999-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-06-07 WO disclosed