SCHEMBL29645533

SCHEMBL29645533

Cc1ccccc1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL31149890 0.91 THRB (0.43) MAPTPOLBLMNATP53NPC1
SCHEMBL29645950 0.90 MAPT (0.41) MAPTPOLBLMNATP53NPC1
SCHEMBL29645743 0.88 GRM2 (0.39) MAPTPOLBLMNATP53NPC1
SCHEMBL29645430 0.88 NPC1 (0.48) MAPTPOLBTP53NPC1RAB9A
SCHEMBL29645527 0.88 MAPT (0.41) MAPTPOLBLMNATP53ADK
SCHEMBL29645843 0.88 KMT2A (0.44) MAPTPOLBTP53NPSR1ALDH1A1
SCHEMBL29645636 0.88 MAPT (0.47) MAPTPOLBLMNACYP1A2CYP3A4
SCHEMBL29645894 0.87 KDM1A (0.40) MAPTPOLBTP53ALDH1A1ADORA3
SCHEMBL29646208 0.87 MAPT (0.41) MAPTPOLBTP53ALDH1A1RXFP1
SCHEMBL29645608 0.87 MAPT (0.40) MAPTPOLBTP53SMN1; SMN2ADORA3

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