SCHEMBL1736111

SCHEMBL1736111

C#CCn1c(C)c(C)c2ccnc(-c3ccc(F)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.35
MAPK14 Q16539 6/20 0.35
TGFBR1 P36897 1/20 0.35
MCL1 Q07820 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32

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 SCHEMBL1735787 0.99 ACHE (0.37) ACHEKMT2AMEN1LMNAPTBP1
SCHEMBL1737399 0.90 ACHE (0.39) ACHEKMT2AMEN1LMNAPTBP1
Hydrochloric Acid SCHEMBL1737857 0.89 ACHE (0.38) ACHEKMT2AMEN1LMNAPTBP1
SCHEMBL1738139 0.88 ACHE (0.37) ACHEKMT2AMEN1LMNANPSR1
Hydrochloric Acid SCHEMBL1737854 0.86 ACHE (0.37) ACHENPSR1PDE3BPDE3APOLB
SCHEMBL1736800 0.85 ACHE (0.51) ACHEKMT2AMEN1NPSR1PDE3B
Hydrochloric Acid SCHEMBL1736348 0.84 ACHE (0.50) ACHEKMT2AMEN1NPSR1PDE3B
SCHEMBL1738846 0.84 ACHE (0.35) ACHE
SCHEMBL1738538 0.84 KMT2A (0.40) KMT2AMEN1BCHEMAPK14TGFBR1
Hydrochloric Acid SCHEMBL1736308 0.83 ACHE (0.35) ACHE

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 6 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed