SCHEMBL3846288

SCHEMBL3846288

Cc1c(C)n(Cc2ccc(F)cc2)c2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ENPP2 Q13822 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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 SCHEMBL3845456 0.87 HDAC2 (0.41) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL3850213 0.87 MAPT (0.45) LMNAMAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL3841189 0.84 PTGDR2 (0.42) NFATC1GSK3BDYRK1AHDAC2HDAC6
Hydrochloric Acid SCHEMBL3841707 0.82 KDM4E (0.48) LMNAMAPTKDM4ETP53
SCHEMBL27917544 0.78 HDAC2 (0.57) NFATC1GSK3BDYRK1ALMNAMEN1
SCHEMBL3843455 0.78 ALDH1A1 (0.49) LMNAMAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL3843975 0.77 CYP11B1 (0.45) MAPTMEN1KMT2ATP53POLB
Hydrochloric Acid SCHEMBL3842265 0.75 KDM5A (0.49) NFATC1GSK3BDYRK1AKDM4E
SCHEMBL1737728 0.73 MCL1 (0.42) LMNAMAPTKDM4ECYP17A1CYP1A2
Hydrochloric Acid SCHEMBL3852857 0.73 ROCK2 (0.48) LMNAMAPTKDM4ECYP1A2MEN1

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