SCHEMBL29646402

SCHEMBL29646402

O=c1nccccc1Nc1nc2ccccc2c2nc(Br)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.42
POLB P06746 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
C1R P00736 1/20 0.36
USP2 O75604 1/20 0.35
P2RX7 Q99572 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL29645760 0.85 MAPT (0.56) POLBKDM4EALDH1A1KMT2AHCRTR1
SCHEMBL29645430 0.85 NPC1 (0.48) ADKPOLBKDM4EALDH1A1MEN1
SCHEMBL29645658 0.82 ADORA3 (0.51) ADKPOLBKDM4EALDH1A1MAPT
SCHEMBL29645950 0.80 MAPT (0.41) ADKPOLBMEN1KMT2AMAPT
SCHEMBL29645834 0.80 ADORA3 (0.49) POLBKDM4EALDH1A1KMT2AHCRTR1
SCHEMBL29645636 0.80 MAPT (0.47) ADKPOLBALDH1A1MEN1KMT2A
SCHEMBL29645533 0.80 MAPT (0.41) ADKPOLBALDH1A1KMT2AMAPT
SCHEMBL29645888 0.80 MAPT (0.55) POLBKMT2AMAPTTP53LMNA
SCHEMBL29645503 0.80 ADORA3 (0.49) POLBKMT2AHCRTR1MAPTTP53
SCHEMBL29645527 0.80 MAPT (0.41) ADKPOLBMAPTTP53LMNA

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed