SCHEMBL6004309

SCHEMBL6004309

Cc1cc(Oc2ccnc3ccc(-c4cn[nH]c4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.44
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALK Q9UM73 1/20 0.39
ACVR1 Q04771 1/20 0.39
ROCK2 O75116 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GRK2 P25098 1/20 0.37
GRK5 P34947 1/20 0.37
GRK1 Q15835 1/20 0.37
PIK3CA P42336 1/20 0.37
MAP3K14 Q99558 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
SCHEMBL6002943 0.89 TGFBR1 (0.47) TGFBR1KDM4ENPC1PIK3CA
SCHEMBL6005291 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1PIK3CA
SCHEMBL6003004 0.88 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6005267 0.87 TGFBR1 (0.46) TGFBR1KDM4ENPC1PIK3CA
SCHEMBL6004154 0.87 TGFBR1 (0.47) TGFBR1KDM4ENPC1
SCHEMBL6004844 0.86 TGFBR1 (0.44) TGFBR1PIM1PIM2ALKACVR1
SCHEMBL6005329 0.86 TGFBR1 (0.45) TGFBR1KDM4ENPC1
SCHEMBL6004076 0.85 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6004938 0.85 TGFBR1 (0.44) TGFBR1KDM4ENPC1
SCHEMBL6004186 0.84 TGFBR1 (0.44) TGFBR1KDM4ENPC1

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