SCHEMBL29645834

SCHEMBL29645834

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(O)cc3)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 1/20 0.49
MAPT P10636 8/20 0.48
POLB P06746 3/20 0.46
HCRTR1 O43613 3/20 0.45
ADORA1 P30542 1/20 0.44
TP53 P04637 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 3/20 0.44
ALPL P05186 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
RAD52 P43351 2/20 0.42
SMARCA2 P51531 1/20 0.42
UHRF1 Q96T88 1/20 0.42
LMNA P02545 2/20 0.41
ALPI P09923 1/20 0.41

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 0.92 MAPT (0.56) ADORA3MAPTPOLBHCRTR1ADORA1
SCHEMBL29645503 0.90 ADORA3 (0.49) ADORA3ADORA2AMAPTPOLBHCRTR1
SCHEMBL29645888 0.90 MAPT (0.55) ADORA3ADORA2AMAPTPOLBADORA1
SCHEMBL29645571 0.89 MAPT (0.46) ADORA3MAPTPOLBHCRTR1ADORA1
SCHEMBL29646016 0.87 MAPT (0.46) ADORA3MAPTPOLBHCRTR1ADORA1
SCHEMBL29645633 0.87 MAPT (0.46) ADORA3MAPTPOLBHCRTR1ADORA1
SCHEMBL29645516 0.87 MAPT (0.46) ADORA3MAPTPOLBHCRTR1ADORA1
SCHEMBL29645487 0.87 MAPT (0.59) ADORA3MAPTPOLBTP53KDM4E
SCHEMBL29645486 0.87 ADORA3 (0.52) ADORA3ADORA2AMAPTPOLBHCRTR1
SCHEMBL29645655 0.86 MAPT (0.42) ADORA3MAPTPOLBHCRTR1ADORA1

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 claimed