SCHEMBL1737079

SCHEMBL1737079

CC=Cn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
MPI P34949 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 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
Hydrochloric Acid SCHEMBL1737482 0.99 KMT2A (0.35) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1737506 0.86 RAB9A (0.34) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1735325 0.86 GAA (0.38) KMT2ALMNAALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1737288 0.85 RAB9A (0.34) KMT2ALMNAALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1737751 0.85 GAA (0.38) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1738347 0.83 RAB9A (0.40) KMT2ALMNAALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1737585 0.82 RAB9A (0.39) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1735560 0.82 KMT2A (0.37) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL1737369 0.81 RAB9A (0.38) KMT2ALMNAALDH1A1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL1737735 0.81 KMT2A (0.36) KMT2ALMNAALDH1A1L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed