SCHEMBL29645622

SCHEMBL29645622

Cc1[nH]ncc1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 7/20 0.38
THRB P10828 4/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.36
GRM4 Q14833 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 2/20 0.36
SMARCA2 P51531 1/20 0.35
KMT2A Q03164 1/20 0.35
UHRF1 Q96T88 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
SCHEMBL29645533 0.85 MAPT (0.41) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645665 0.84 KDM4E (0.40) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645657 0.83 MAPT (0.40) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645536 0.82 MAPT (0.39) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645677 0.82 MAPT (0.39) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29646470 0.82 MAPT (0.41) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645760 0.82 MAPT (0.56) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645430 0.81 NPC1 (0.48) TP53MAPTTHRBPOLBRAD52
SCHEMBL29645950 0.81 MAPT (0.41) TP53RXFP1MAPTTHRBPOLB
SCHEMBL29645527 0.81 MAPT (0.41) TP53MAPTPOLB

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