SCHEMBL29645968

SCHEMBL29645968

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(Cl)c3)nn12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 2/20 0.44
XDH P47989 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TGFBR1 P36897 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL29645760 0.90 MAPT (0.56) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645888 0.89 MAPT (0.55) MAPTTP53THRBPOLBADORA3
SCHEMBL29645605 0.89 MAPT (0.47) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645458 0.88 MAPT (0.50) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645571 0.88 MAPT (0.46) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645903 0.88 MAPT (0.45) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645859 0.86 MAPT (0.44) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645881 0.86 RXFP1 (0.46) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645973 0.86 TP53 (0.46) MAPTRXFP1TP53THRBPOLB
SCHEMBL29646003 0.86 MAPT (0.56) MAPTRXFP1TP53THRBPOLB

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