SCHEMBL885787

SCHEMBL885787

C=CCn1c(C)c(C)c2c(NCc3ccc(F)cc3)nccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CACNA2D1 P54289 1/20 0.37
THRB P10828 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36

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 SCHEMBL439483 0.99 ALDH1A1 (0.38) ALDH1A1TDP1MAPK1CYP1A2CYP2D6
SCHEMBL2317798 0.86 LRRK2 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
SCHEMBL885525 0.86 MAPT (0.44) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
Hydrochloric Acid SCHEMBL438326 0.85 MAPT (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
Hydrochloric Acid SCHEMBL439779 0.85 LRRK2 (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
SCHEMBL885914 0.84 POLB (0.44) ALDH1A1TDP1MAPK1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL436288 0.83 POLB (0.44) ALDH1A1TDP1MAPK1CYP1A2CYP2D6
SCHEMBL885722 0.83 CACNA2D1 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
Hydrochloric Acid SCHEMBL441263 0.82 CACNA2D1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C19CACNA2D1
SCHEMBL885715 0.82 UTS2R (0.47) ALDH1A1MAPK1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed