SCHEMBL3846867

SCHEMBL3846867

Cc1c(C)n(CCC(C)C)c2c(NCc3ccccc3)nccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.46
ADRA2A P08913 1/20 0.46
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
CDK1 P06493 3/20 0.39
CCNB2 O95067 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
NOS2 P35228 1/20 0.38
CDK5 Q00535 1/20 0.38
PDE4B Q07343 1/20 0.38

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 SCHEMBL1738388 0.99 KMT2A (0.45) KMT2ARAB9AADRA2AMEN1MAPT
Hydrochloric Acid SCHEMBL1735367 0.88 KMT2A (0.43) KMT2ARAB9AMEN1MAPTADORA3
SCHEMBL2480169 0.87 CYP3A4 (0.47) KMT2AMEN1ADORA1UTS2RKDM4E
Hydrochloric Acid SCHEMBL1737704 0.86 MAPK1 (0.46) KMT2AMEN1ADORA1UTS2RKDM4E
SCHEMBL3843126 0.84 MEN1 (0.45) KMT2ARAB9AMEN1UTS2RKDM4E
Hydrochloric Acid SCHEMBL1738613 0.83 FABP4 (0.47) KMT2ARAB9AMEN1MAPTUTS2R
Hydrochloric Acid SCHEMBL1737814 0.83 KMT2A (0.44) KMT2ARAB9AMEN1MAPTUTS2R
SCHEMBL3843694 0.83 MEN1 (0.43) KMT2ARAB9AMEN1MAPTCDK1
Hydrochloric Acid SCHEMBL1737311 0.83 MEN1 (0.50) KMT2ARAB9AMEN1ADORA3ADORA1
Hydrochloric Acid SCHEMBL1738363 0.82 KMT2A (0.42) KMT2ARAB9AMEN1MAPTUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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