SCHEMBL1737044

SCHEMBL1737044

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 4/20 0.36
TSHR P16473 2/20 0.36
HASPIN Q8TF76 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE10A Q9Y233 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 SCHEMBL1736072 0.99 DYRK1A (0.40) DYRK1ARAB9ANPC1KMT2AMAPT
SCHEMBL1737404 0.91 DYRK1A (0.40) DYRK1ARAB9ANPC1MAPTTP53
SCHEMBL1736053 0.90 DYRK1A (0.40) DYRK1ARAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1737655 0.90 DYRK1A (0.40) DYRK1ARAB9ANPC1MAPTTP53
SCHEMBL1739295 0.90 RAB9A (0.45) DYRK1ARAB9ANPC1KMT2AMAPT
Hydrochloric Acid SCHEMBL1739792 0.89 DYRK1A (0.39) DYRK1ARAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1737677 0.89 RAB9A (0.44) DYRK1ARAB9ANPC1KMT2AMAPT
SCHEMBL1737062 0.88 RAB9A (0.49) RAB9ANPC1KMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL1736429 0.87 RAB9A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1737594 0.85 HRH3 (0.41) DYRK1ARAB9ANPC1KMT2AMAPT

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