SCHEMBL1737375

SCHEMBL1737375

CC(C)=CCn1c(C)c(C)c2ccnc(COc3ccccc3Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 3/20 0.33
FFAR1 O14842 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
ROS1 P08922 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33

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 SCHEMBL1736165 0.99 KDM4E (0.39) KDM4ESMN1; SMN2TAAR1MAPTMAPK1
SCHEMBL1737569 0.87 PKM (0.39) KDM4ESMN1; SMN2MAPTMAPK1FFAR1
Hydrochloric Acid SCHEMBL1736551 0.86 PKM (0.38) KDM4ESMN1; SMN2MAPTMAPK1FFAR1
SCHEMBL1737488 0.85 KDM4E (0.39) KDM4ESMN1; SMN2MAPTMAPK1FFAR1
Hydrochloric Acid SCHEMBL1738061 0.84 KDM4E (0.38) KDM4ESMN1; SMN2MAPTMAPK1FFAR1
SCHEMBL1737072 0.83 MAOA (0.33) KDM4ESMN1; SMN2MAPTDYRK1ANPC1
SCHEMBL1737420 0.83 KDM4E (0.37) KDM4ESMN1; SMN2MAPTMAPK1FFAR1
SCHEMBL1737165 0.83 FABP4 (0.44) KDM4ESMN1; SMN2TAAR1MAPTMAPK1
SCHEMBL1738301 0.82 RAB9A (0.36) MAPK1FFAR1NPC1MEN1KMT2A
SCHEMBL1736203 0.82 PTGDR2 (0.35) KDM4ESMN1; SMN2MAPTCLK2DYRK1A

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