SCHEMBL29648951

SCHEMBL29648951

COc1cccc(-c2nc3c4ccccc4nc(NC4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)c1.COc1cccc(-c2nc3c4ccccc4nc(NC4CNCCNC4=O)n3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
THRB P10828 3/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 6/20 0.38
GAA P10253 2/20 0.38
ALPL P05186 1/20 0.38
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
WNK1 Q9H4A3 1/20 0.37
ZAP70 P43403 1/20 0.37
SYK P43405 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL22979112 0.96 MAPT (0.49) MAPTSMN1; SMN2THRBTSHRALDH1A1
SCHEMBL29646395 0.96 MAPT (0.49) MAPTSMN1; SMN2THRBTSHRALDH1A1
SCHEMBL29648930 0.93 MAPT (0.45) MAPTSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL22979870 0.89 MAPT (0.48) MAPTSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL29646384 0.89 MAPT (0.48) MAPTSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL22988038 0.89 MAPT (0.42) MAPTSMN1; SMN2THRBTSHRALDH1A1
SCHEMBL22988118 0.88 MAPT (0.43) MAPTSMN1; SMN2THRBTP53GAA
SCHEMBL29646438 0.88 MAPT (0.43) MAPTSMN1; SMN2THRBTP53GAA
SCHEMBL29648986 0.88 MAPT (0.43) MAPTSMN1; SMN2THRBTP53GAA
SCHEMBL22988052 0.88 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1LMNATP53

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 disclosed