SCHEMBL3846872

SCHEMBL3846872

Cc1c(C)n(CC2CC2)c2c(NCc3ccccc3)nccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE10A Q9Y233 1/20 0.40
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
ACHE P22303 2/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
EGFR P00533 2/20 0.37
PSMB1 P20618 1/20 0.37

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 SCHEMBL1735789 0.99 KDM4E (0.42) KDM4EHSD17B10MEN1KMT2APDE10A
SCHEMBL1735360 0.91 WNT3A (0.38) KDM4EHSD17B10MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL1736693 0.90 WNT3A (0.38) KDM4EHSD17B10MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL1736667 0.88 CYP1A2 (0.39) KDM4EMEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL1736593 0.88 LRRK2 (0.42) KDM4EHSD17B10PDE10AALDH1A1HPGD
SCHEMBL3843126 0.84 MEN1 (0.45) KDM4EHSD17B10MEN1KMT2APDE4B
Hydrochloric Acid SCHEMBL1738613 0.83 FABP4 (0.47) KDM4EMEN1KMT2AUTS2RNOS2
Hydrochloric Acid SCHEMBL1737814 0.83 KMT2A (0.44) KDM4EHSD17B10MEN1KMT2APDE4B
SCHEMBL2480169 0.82 CYP3A4 (0.47) KDM4EMEN1KMT2APDE4BUTS2R
Hydrochloric Acid SCHEMBL1735367 0.81 KMT2A (0.43) KDM4EHSD17B10MEN1KMT2AUTS2R

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 3 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 disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed