SCHEMBL22979519

SCHEMBL22979519

O=C1NCCNC[C@H]1Nc1nc2cccc(C3CC3)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.34
MAPT P10636 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHEK1 O14757 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGFR P00533 1/20 0.31
OPRL1 P41146 1/20 0.31
MAT2A P31153 1/20 0.31
CSNK1D P48730 1/20 0.31
ACP1 P24666 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
SCHEMBL22979634 1.00 PLAT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL29645558 1.00 PLAT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL29646017 1.00 PLAT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL22979365 1.00 PLAT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL29646085 1.00 PLAT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL22988344 0.89 MAPT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL31149867 0.89 KDM4E (0.39) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL22988284 0.89 ADORA3 (0.37) PLATMAPTPDE10ACHEK1LMNA
SCHEMBL22979322 0.89 KDM4E (0.39) PLATMAPTPDE10ACYP1A2CYP3A4
SCHEMBL29645856 0.89 MAPT (0.34) PLATMAPTPDE10ACYP1A2CYP3A4

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
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed