SCHEMBL6005291

SCHEMBL6005291

Cc1cc(Oc2ccnc3ccc(-c4ccccn4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.48
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RET P07949 1/20 0.39
RIPK1 Q13546 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HCRTR1 O43613 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 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
SCHEMBL6004154 0.94 TGFBR1 (0.47) TGFBR1KDM4ENPC1SRC
SCHEMBL6002943 0.94 TGFBR1 (0.47) TGFBR1KDM4ENPC1PIK3CASRC
SCHEMBL6003004 0.93 TGFBR1 (0.46) TGFBR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6005267 0.92 TGFBR1 (0.46) TGFBR1KDM4ENPC1PIK3CDPIK3CA
SCHEMBL6004802 0.91 TGFBR1 (0.48) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6005329 0.91 TGFBR1 (0.45) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004799 0.90 TGFBR1 (0.43) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002965 0.90 TGFBR1 (0.49) TGFBR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6002921 0.89 TGFBR1 (0.44) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004076 0.89 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed