SCHEMBL3842682

SCHEMBL3842682

Cc1c(C)n(CC(C)C)c2c(NCc3ccc(Cl)cc3)nccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TP53 P04637 1/20 0.40
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
PDE9A O76083 1/20 0.39
EGFR P00533 1/20 0.38
ADRA2A P08913 1/20 0.38
PDE5A O76074 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE2A O00408 1/20 0.37

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 SCHEMBL1736673 0.99 LRRK2 (0.45) LRRK2POLBKDM4EALDH1A1HPGD
SCHEMBL27698493 0.91 WNT3A (0.40) POLBKDM4EALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL1739201 0.89 WNT3A (0.39) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL3841846 0.88 TP53 (0.40) KDM4EALDH1A1HPGDTP53EGFR
SCHEMBL3844990 0.88 LRRK2 (0.47) LRRK2POLBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1735749 0.87 TP53 (0.39) KDM4EALDH1A1HPGDTP53EGFR
Hydrochloric Acid SCHEMBL1735367 0.87 KMT2A (0.43) KDM4EALDH1A1HPGDLMNACDK2
Hydrochloric Acid SCHEMBL1738514 0.87 LRRK2 (0.46) LRRK2POLBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1737663 0.85 POLB (0.47) LRRK2POLBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1736775 0.85 LRRK2 (0.45) LRRK2POLBKDM4EALDH1A1HPGD

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