SCHEMBL256011

SCHEMBL256011

c1cc(-c2nc[nH]n2)cc(-n2nnc3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNMA1 Q12791 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
NT5E P21589 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 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
SCHEMBL21277320 0.80 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL24330941 0.77 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL20180557 0.77 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL14493125 0.74 PTK2 (0.49) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL28314009 0.73 RAB9A (0.50) SMN1; SMN2RAB9AKDM4EL3MBTL1KCNMA1
SCHEMBL2091200 0.71 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL2091203 0.71 FGFR1 (0.56) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL241393 0.70 IDO1 (0.54) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL2627246 0.70 KDM4E (0.64) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1
SCHEMBL16596178 0.70 NT5E (0.58) SMN1; SMN2RAB9AKDM4ENPC1L3MBTL1

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-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed