SCHEMBL20157091

SCHEMBL20157091

N=C(Nc1cnccn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
GCK P35557 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 3/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.44
KDR P35968 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL23458580 0.88 KMT2A (0.49) KMT2AGCKKDM4EHSD17B10TSHR
SCHEMBL10788485 0.80 CYP1A2 (0.61) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL45148 0.79 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ESIRT2
SCHEMBL29238994 0.78 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4ESIRT2
SCHEMBL30533391 0.78 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4ESIRT2
SCHEMBL14809359 0.77 TSHR (0.54) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL11033096 0.74 RAB9A (0.70) KMT2AMEN1KDM4ESIRT2HSD17B10
SCHEMBL20141389 0.74 KDM4E (0.42) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL5783437 0.74 NAMPT (0.65) KMT2AALDH1A1GAAKDM4ERAB9A
SCHEMBL23715855 0.73 GAA (0.40) KMT2AMEN1ALDH1A1HPGDGCK

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed