SCHEMBL6005267

SCHEMBL6005267

Cc1cc(Oc2ccnc3ccc(-c4ccncc4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.46
PIK3CA P42336 3/20 0.43
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP4K4 O95819 1/20 0.34
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL6002943 0.94 TGFBR1 (0.47) TGFBR1PIK3CAKDM4ENPC1FGFR2
SCHEMBL6003004 0.93 TGFBR1 (0.46) TGFBR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6004676 0.92 TGFBR1 (0.46) TGFBR1PIK3CAKDM4ENPC1PIK3CD
SCHEMBL6005291 0.92 TGFBR1 (0.48) TGFBR1PIK3CAKDM4ENPC1PIK3CD
SCHEMBL6005329 0.91 TGFBR1 (0.45) TGFBR1KDM4ENPC1RAB9ASRC
SCHEMBL6004154 0.90 TGFBR1 (0.47) TGFBR1KDM4ENPC1SRC
SCHEMBL6004844 0.89 TGFBR1 (0.44) TGFBR1PIK3CAKDM4ENPC1MAP4K4
SCHEMBL6004186 0.88 TGFBR1 (0.44) TGFBR1KDM4ENPC1HCRTR1USP2
SCHEMBL6004076 0.87 TGFBR1 (0.46) TGFBR1KDM4ENPC1MAP4K4
SCHEMBL6004938 0.87 TGFBR1 (0.44) TGFBR1KDM4ENPC1MAP4K4

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