SCHEMBL29645744

SCHEMBL29645744

O=c1nccccc1Nc1nc2cccc(C3CC3)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
EGFR P00533 1/20 0.35
PDE10A Q9Y233 2/20 0.34
FAAH O00519 1/20 0.34
CSNK1D P48730 1/20 0.33
LMNA P02545 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TP53 P04637 1/20 0.32
XPO1 O14980 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL31150073 0.91 CYP1A2 (0.37) MAPTCYP1A2CYP3A4EGFRPDE10A
SCHEMBL29645511 0.86 ADORA3 (0.41) MAPTCYP1A2CYP3A4PDE10ACSNK1D
SCHEMBL29645787 0.86 MAPT (0.38) MAPTPDE10ACSNK1DLMNARXFP1
SCHEMBL29645499 0.84 MAPT (0.37) MAPTPDE10ACSNK1DLMNARXFP1
SCHEMBL29645567 0.84 MAPT (0.41) MAPTCYP1A2CYP3A4PDE10A
SCHEMBL29645458 0.84 MAPT (0.50) MAPTRXFP1TP53
SCHEMBL22979322 0.79 KDM4E (0.39) MAPTCYP1A2CYP3A4PDE10ALMNA
SCHEMBL31149867 0.79 KDM4E (0.39) MAPTCYP1A2CYP3A4PDE10ALMNA
SCHEMBL22979365 0.78 PLAT (0.34) MAPTCYP1A2CYP3A4EGFRPDE10A
SCHEMBL22979634 0.78 PLAT (0.34) MAPTCYP1A2CYP3A4EGFRPDE10A

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