SCHEMBL3841846

SCHEMBL3841846

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
USP10 Q14694 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
USP13 Q92995 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 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 SCHEMBL1735749 0.99 TP53 (0.39) TP53USP10PIK3C3USP13KDM4E
SCHEMBL27698493 0.91 WNT3A (0.40) TP53KDM4EHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1739201 0.89 WNT3A (0.39) TP53KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3842682 0.88 LRRK2 (0.46) TP53KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3841998 0.88 MAPT (0.44) TP53USP10PIK3C3USP13KDM4E
Hydrochloric Acid SCHEMBL1736673 0.87 LRRK2 (0.45) TP53KDM4EHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1735367 0.87 KMT2A (0.43) KDM4EHPGDALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL1736917 0.87 MAPT (0.43) TP53USP10PIK3C3USP13KDM4E
Hydrochloric Acid SCHEMBL1736652 0.87 TP53 (0.41) TP53USP10PIK3C3USP13KDM4E
Hydrochloric Acid SCHEMBL1735357 0.85 POLB (0.44) TP53USP10PIK3C3USP13KDM4E

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