SCHEMBL20217331

SCHEMBL20217331

N=C(C1=CC(C(=O)NCc2ccccn2)CC=C1N)c1ccc(N2CC(C3COC3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
DPP4 P27487 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL20217432 0.78 KMT2A (0.47) KDM4EHPGDMAPK1KMT2AMEN1
SCHEMBL20217329 0.68 CYP3A4 (0.52) KDM4EMAPK1KMT2AL3MBTL1LMNA
SCHEMBL20217644 0.67 KMT2A (0.45) KDM4EMAPK1KMT2AMEN1L3MBTL1
SCHEMBL20217777 0.67 KMT2A (0.49) KDM4ETSHRMAPK1KMT2AL3MBTL1
SCHEMBL20217630 0.65 RAB9A (0.45) KDM4EHPGDMAPK1KMT2AMEN1
SCHEMBL13066428 0.61 SMN1; SMN2 (0.51) KDM4ETSHRHPGDMAPK1KMT2A
SCHEMBL4964666 0.60 KMT2A (0.67) KDM4ETSHRHPGDMAPK1KMT2A
SCHEMBL11625676 0.58 LMNA (0.74) KDM4EHPGDKMT2AMEN1L3MBTL1
SCHEMBL10353314 0.58 TSHR (0.67) KDM4ETSHRHPGDMAPK1KMT2A
SCHEMBL30157827 0.58 KMT2A (0.66) KMT2AMEN1LMNASMN1; SMN2

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed