SCHEMBL4033692

SCHEMBL4033692

NC(=O)Oc1[nH]c2cccnc2c1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 5/20 0.42
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
MAPT P10636 3/20 0.36
USP7 Q93009 3/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRK1 P41145 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
ITGAL P20701 3/20 0.36
USP47 Q96K76 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4042064 0.92 TGFBR1 (0.38) RHEBTGFBR1TGFBR2MAPTNPC1
SCHEMBL4034813 0.88 PKM (0.43) RHEBTGFBR1TGFBR2MAPTUSP7
SCHEMBL4035489 0.84 SLC6A4 (0.43) RHEBTGFBR1TGFBR2RAB9AKMT2A
SCHEMBL4036827 0.84 KDM4E (0.43) RHEBTGFBR1TGFBR2USP7NPC1
SCHEMBL4035286 0.84 PTPN11 (0.38) RHEBTGFBR1TGFBR2MAPTUSP7
SCHEMBL4041841 0.84 RHEB (0.42) RHEBTGFBR1TGFBR2MAPTKMT2A
SCHEMBL4214923 0.80 ALDH1A1 (0.37) RHEBTGFBR1MAPTPKMKMT2A
SCHEMBL4041261 0.80 RHEB (0.44) RHEBMAPTNPC1PKMRAB9A
SCHEMBL4036107 0.79 PDE5A (0.36) TGFBR1TGFBR2KMT2AICAM1ALDH1A1
SCHEMBL4041978 0.79 CNR2 (0.35) RHEBTGFBR1TGFBR2MAPTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed