SCHEMBL29645536

SCHEMBL29645536

Cc1sccc1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 3/20 0.37
RAD52 P43351 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
SMARCA2 P51531 1/20 0.36
KMT2A Q03164 1/20 0.36
UHRF1 Q96T88 1/20 0.36
ADK P55263 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL29645570 0.89 MAPT (0.40) MAPTPOLBRAD52RXFP1THRB
SCHEMBL29645743 0.86 GRM2 (0.39) MAPTPOLBTP53RAD52RXFP1
SCHEMBL29645533 0.86 MAPT (0.41) MAPTPOLBTP53RAD52RXFP1
SCHEMBL29645677 0.83 MAPT (0.39) MAPTPOLBTP53RAD52RXFP1
SCHEMBL29645535 0.83 MAPT (0.39) MAPTPOLBTP53RAD52RXFP1
SCHEMBL29645760 0.82 MAPT (0.56) MAPTPOLBTP53RAD52RXFP1
SCHEMBL29645430 0.82 NPC1 (0.48) MAPTPOLBTP53RAD52THRB
SCHEMBL29645527 0.82 MAPT (0.41) MAPTPOLBTP53ADKLMNA
SCHEMBL29645636 0.82 MAPT (0.47) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645950 0.82 MAPT (0.41) MAPTPOLBTP53RAD52RXFP1

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