SCHEMBL29645950

SCHEMBL29645950

Cc1cccc(C)c1-c1nc2c3ccccc3nc(Nc3ccccnc3=O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADK P55263 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
THRB P10828 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
UHRF1 Q96T88 1/20 0.38

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 0.90 MAPT (0.41) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645760 0.86 MAPT (0.56) MAPTPOLBTP53RXFP1SMN1; SMN2
SCHEMBL29645657 0.85 MAPT (0.40) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645743 0.84 GRM2 (0.39) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645980 0.82 MAPT (0.41) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645535 0.82 MAPT (0.39) MAPTPOLBTP53RXFP1ADK
SCHEMBL29646071 0.82 MAPT (0.45) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645999 0.82 MAPT (0.40) MAPTPOLBTP53RXFP1ADK
SCHEMBL29645636 0.81 MAPT (0.47) MAPTPOLBADKLMNAADORA3
SCHEMBL31149890 0.81 THRB (0.43) MAPTPOLBTP53RXFP1SMN1; SMN2

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