SCHEMBL1739802

SCHEMBL1739802

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 1/20 0.35
TGFBR1 P36897 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCL1 Q07820 1/20 0.34
PTGS2 P35354 1/20 0.34
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 2/20 0.33

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 SCHEMBL1735611 0.99 MAPT (0.41) MAPTTDP1BCHETGFBR1ALDH1A1
SCHEMBL1735921 0.90 NPSR1 (0.41) MAPTALDH1A1CYP2C9CYP2C19HPGD
Hydrochloric Acid SCHEMBL1736632 0.89 NPSR1 (0.40) MAPTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1738539 0.88 ALDH1A1 (0.41) MAPTTDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL1737486 0.88 CACNA1B (0.34) MAPTALDH1A1CYP2C9CYP2C19HPGD
SCHEMBL1738045 0.87 L3MBTL1 (0.40) MAPTBCHEALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1736147 0.86 CACNA1B (0.34) MAPTALDH1A1CYP2C9CYP2C19HPGD
Hydrochloric Acid SCHEMBL1736403 0.86 ALDH1A1 (0.40) MAPTTDP1ALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1736672 0.86 L3MBTL1 (0.39) MAPTBCHEALDH1A1CYP2C9CYP2C19
SCHEMBL1739006 0.85 RAB9A (0.36) MAPTALDH1A1CYP2C9CYP2C19HPGD

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