SCHEMBL18106970

SCHEMBL18106970

COc1ccccc1Nc1cnc2[nH]c3c(c2c1)CN(OC(=O)OC(C)(C)C)CC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 2/20 0.41
ALOX12 P18054 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHFR P00374 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
TP53 P04637 5/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 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
SCHEMBL18106974 0.87 EP300 (0.43) TP53MKNK1KDR
SCHEMBL18106971 0.86 MAPT (0.42) MAPTSMN1; SMN2ALOX15ALDH1A1HSD17B10
SCHEMBL407207 0.86 MAPT (0.49) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18106969 0.84 PRKAA2 (0.35) MAPTPDGFRB
SCHEMBL18106981 0.77 MAPT (0.57) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL407463 0.73 MKNK1 (0.55) MAPTMKNK1KDR
SCHEMBL409364 0.72 MAPT (0.55) MAPTKDM4EALDH1A1MKNK1KDR
SCHEMBL406798 0.71 MAPT (0.45) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10139886 0.70 MAPT (0.77) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18106977 0.68 LIMK2 (0.43) MAPTKDM4EMEN1KMT2AALOX15

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-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed