SCHEMBL29646149

SCHEMBL29646149

Cc1cc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c(C)n1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 8/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAD52 P43351 2/20 0.36
THRB P10828 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL29645665 0.86 KDM4E (0.40) RXFP1TP53MAPTPOLBKDM4E
SCHEMBL29645533 0.85 MAPT (0.41) RXFP1TP53MAPTPOLBHSD17B10
SCHEMBL29645535 0.84 MAPT (0.39) RXFP1TP53MAPTPOLBRAD52
SCHEMBL29645743 0.82 GRM2 (0.39) RXFP1TP53MAPTPOLBRAD52
SCHEMBL29645536 0.82 MAPT (0.39) RXFP1TP53MAPTPOLBKDM4E
SCHEMBL29645760 0.82 MAPT (0.56) RXFP1TP53MAPTPOLBKDM4E
SCHEMBL29645843 0.81 KMT2A (0.44) TP53MAPTPOLBKDM4ETSHR
SCHEMBL29645527 0.81 MAPT (0.41) TP53MAPTPOLB
SCHEMBL29645430 0.81 NPC1 (0.48) TP53MAPTPOLBKDM4ERAD52
SCHEMBL29645636 0.81 MAPT (0.47) MAPTPOLBHSD17B10THRBADORA3

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