SCHEMBL1736053

SCHEMBL1736053

CCCn1c(C)c(C)c2ccnc(COc3ccc(Cl)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 3/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
MCHR1 Q99705 1/20 0.34
NPY1R P25929 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HASPIN Q8TF76 1/20 0.34
PTPN11 Q06124 1/20 0.33
ADORA2B P29275 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 SCHEMBL1739792 0.99 DYRK1A (0.39) DYRK1AKDM4ETSHRL3MBTL1ALOX15
SCHEMBL1737044 0.90 DYRK1A (0.41) DYRK1ATSHRTP53MAPTSMN1; SMN2
SCHEMBL1737349 0.90 DYRK1A (0.38) DYRK1AKDM4ETSHRL3MBTL1ALOX15
Hydrochloric Acid SCHEMBL1737392 0.89 DYRK1A (0.37) DYRK1AKDM4ETSHRL3MBTL1ALOX15
SCHEMBL1737404 0.89 DYRK1A (0.40) DYRK1AL3MBTL1TP53MAOAMAOB
Hydrochloric Acid SCHEMBL1736072 0.89 DYRK1A (0.40) DYRK1ATSHRTP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1737655 0.88 DYRK1A (0.40) DYRK1AL3MBTL1TP53MAOAMAOB
SCHEMBL1736127 0.87 DYRK1A (0.40) DYRK1AKDM4EL3MBTL1TDP1TP53
Hydrochloric Acid SCHEMBL1736588 0.86 DYRK1A (0.39) DYRK1AKDM4EL3MBTL1TDP1TP53
SCHEMBL1737518 0.85 MAOB (0.40) KDM4ETSHRL3MBTL1ALOX15TDP1

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