SCHEMBL3842082

SCHEMBL3842082

C=CCn1c(C)c(C)c2ccnc(-c3ccc(SC)cc3)c21.CSc1ccc(-c2nccc3c(C)c(C)[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1739006 0.90 RAB9A (0.36) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL1736277 0.89 RAB9A (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1735593 0.81 BCHE (0.41) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1735921 0.79 NPSR1 (0.41) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL1736632 0.78 NPSR1 (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1735899 0.77 KDM4E (0.33) KDM4EALDH1A1MAPT
SCHEMBL1738539 0.77 ALDH1A1 (0.41) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1737486 0.77 CACNA1B (0.34) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1739802 0.77 MAPT (0.42) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL1737493 0.77 KDM4E (0.32) KDM4EALDH1A1MAPT

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