SCHEMBL29648713

SCHEMBL29648713

COc1ccc(-c2nc3c4ccccc4nc(N[C@H]4CCCCNC4=O)n3n2)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.39
HPGDS O60760 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22988349 1.00 THRB (0.39) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL29648589 1.00 THRB (0.39) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL22979543 1.00 THRB (0.39) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL29648778 0.90 THRB (0.40) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL29648684 0.90 THRB (0.40) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL22979931 0.90 THRB (0.40) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL22979389 0.90 THRB (0.40) THRBRXFP1MAPTHPGDSSMN1; SMN2
SCHEMBL29648679 0.90 MKNK1 (0.36) THRBMAPTSMN1; SMN2KDM4EMKNK1
SCHEMBL22979159 0.90 MKNK1 (0.36) THRBMAPTSMN1; SMN2KDM4EMKNK1
SCHEMBL22979537 0.90 MCHR1 (0.39) MKNK1MKNK2ADORA2AADORA1

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