SCHEMBL29645847

SCHEMBL29645847

O=C1NCCNC[C@H]1Nc1nc2cccc(C(F)(F)F)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.34
KCNT1 Q5JUK3 2/20 0.33
MAT2A P31153 1/20 0.33
MAPT P10636 2/20 0.33
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CHEK1 O14757 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
SLC5A1 P13866 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL22988384 1.00 PLAT (0.34) PLATKCNT1MAT2AMAPTCDK7
SCHEMBL22987909 0.93 ADORA3 (0.33) MAPTPDE10ASCN9A
SCHEMBL29645993 0.93 ADORA3 (0.33) MAPTPDE10ASCN9A
SCHEMBL22979859 0.89 KDM4E (0.38) PLATKCNT1MAT2AMAPTCYP1A2
SCHEMBL29648627 0.89 KDM4E (0.38) PLATKCNT1MAT2AMAPTCYP1A2
SCHEMBL22988284 0.89 ADORA3 (0.37) PLATMAPTCHEK1PDE10ALMNA
SCHEMBL29645978 0.89 ADORA3 (0.37) PLATMAPTCHEK1PDE10ALMNA
SCHEMBL29645856 0.89 MAPT (0.34) PLATMAPTCHEK1PDE10ALMNA
SCHEMBL22988344 0.89 MAPT (0.34) PLATMAPTCHEK1PDE10ALMNA
SCHEMBL22979519 0.88 PLAT (0.34) PLATMAT2AMAPTCHEK1PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
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