SCHEMBL3843694

SCHEMBL3843694

C=CCCn1c(C)c(C)c2ccnc(NCc3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PSMB1 P20618 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
PDE4B Q07343 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 1/20 0.36
EGFR P00533 2/20 0.36
HSD17B10 Q99714 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 SCHEMBL1738363 0.99 KMT2A (0.42) MEN1KMT2APSMB1CYP1A2CYP3A4
SCHEMBL3843518 0.89 CYP1A2 (0.47) MEN1KMT2APSMB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736574 0.88 CYP1A2 (0.46) MEN1KMT2APSMB1CYP1A2CYP3A4
SCHEMBL2480169 0.86 CYP3A4 (0.47) MEN1KMT2APSMB1CYP3A4UTS2R
Hydrochloric Acid SCHEMBL1737704 0.85 MAPK1 (0.46) MEN1KMT2APSMB1CYP3A4UTS2R
SCHEMBL3843126 0.83 MEN1 (0.45) MEN1KMT2APSMB1CYP1A2CYP3A4
SCHEMBL3846867 0.83 KMT2A (0.46) MEN1KMT2APSMB1UTS2RHTT
Hydrochloric Acid SCHEMBL1737814 0.82 KMT2A (0.44) MEN1KMT2APSMB1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1738613 0.82 FABP4 (0.47) MEN1KMT2AUTS2RHTTNPC1
Hydrochloric Acid SCHEMBL1737311 0.82 MEN1 (0.50) MEN1KMT2AUTS2RHTTNPC1

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