SCHEMBL21033713

SCHEMBL21033713

Cc1ncc(-c2ccc3nc(C=O)cn3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 10/20 0.39
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PAX8 Q06710 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A2 O94788 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34

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
SCHEMBL11914803 0.78 ALDH1A3 (0.60) ALDH1A3SLC2A1ALDH1A1NPC1RAB9A
SCHEMBL871995 0.77 NPC1 (0.50) ALDH1A1NPC1RAB9APAX8SMN1; SMN2
SCHEMBL13770942 0.76 ALDH1A3 (0.42) ALDH1A3SLC2A1ALDH1A1NPC1RAB9A
SCHEMBL21033298 0.75 EGLN1 (0.51) ALDH1A3SLC2A1ALDH1A1ALDH1A2EGLN1
SCHEMBL11914399 0.75 ALDH1A3 (0.44) ALDH1A3SLC2A1ALDH1A1NPC1RAB9A
SCHEMBL30845768 0.74 TGFBR1 (0.54) ALDH1A3EGLN1PIK3CAPIK3CDPIK3CB
SCHEMBL31035779 0.73 ROCK1 (0.32)
SCHEMBL21033565 0.71 KDM4E (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11914416 0.71 ALDH1A3 (0.58) ALDH1A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL869867 0.69 APP (0.43) ALDH1A3ALDH1A1NPC1RAB9AKDM4E

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-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed