SCHEMBL20355151

SCHEMBL20355151

Cc1ccc(Nc2nc(C)nc(N)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
NPC1 O15118 8/20 0.64
JAK2 O60674 1/20 0.64
SMN1; SMN2 Q16637 8/20 0.59
HTT P42858 2/20 0.59
ADORA2A P29274 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 2/20 0.50
GPR68 Q15743 1/20 0.50
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 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
SCHEMBL14582063 0.86 RAB9A (0.56) RAB9ANPC1JAK2SMN1; SMN2HTT
SCHEMBL10878944 0.86 ADORA3 (0.63) RAB9ANPC1JAK2HTTMAPK1
SCHEMBL796156 0.85 BCL6 (0.61) RAB9ANPC1SMN1; SMN2HTTADORA2A
SCHEMBL2494840 0.80 RAB9A (1.00) RAB9ANPC1JAK2SMN1; SMN2HTT
SCHEMBL24359535 0.80 HSP90AB1 (0.44) RAB9ANPC1JAK2SMN1; SMN2HTT
SCHEMBL10910614 0.80 CA12 (0.68) RAB9ANPC1JAK2SMN1; SMN2HTT
SCHEMBL12253181 0.80 NPC1 (0.61) RAB9ANPC1JAK2SMN1; SMN2HTT
SCHEMBL4572276 0.79 CA12 (0.53) RAB9ANPC1JAK2SMN1; SMN2LMNA
SCHEMBL16199978 0.79 CA9 (0.59) RAB9ANPC1JAK2HTTCA12
SCHEMBL14972695 0.79 SYK (0.51) RAB9ANPC1JAK2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed