SCHEMBL30640470

SCHEMBL30640470

Nc1c(-c2csc3ccccc23)cnc2c(-c3nnn[nH]3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
RXFP1 Q9HBX9 2/20 0.38
KDR P35968 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL26621884 1.00 NPC1 (0.43) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621850 0.87 NPC1 (0.39) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621894 0.81 NPC1 (0.44) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621863 0.80 NPC1 (0.37) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621906 0.78 NPC1 (0.35) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621843 0.78 NPC1 (0.35) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621907 0.78 NPC1 (0.41) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL26621877 0.78 NPC1 (0.41) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL30640502 0.78 NPC1 (0.41) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL30640454 0.77 NPC1 (0.36) NPC1RAB9AKMT2AMEN1RXFP1

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-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed