SCHEMBL6004756

SCHEMBL6004756

COc1ccc2ncnc(Oc3cc(C)c(C)nc3-c3ccccn3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.56
ATM Q13315 1/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
RUNX1 Q01196 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 2/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CSF1R P07333 2/20 0.40
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL6004691 0.87 TGFBR1 (0.52) TGFBR1ATMEGFRCSF1R
SCHEMBL6002912 0.87 TGFBR1 (0.48) TGFBR1NPC1ALDH1A1GAAMAPT
SCHEMBL6002915 0.86 TGFBR1 (0.45) TGFBR1NPC1RAB9AALDH1A1MAPT
SCHEMBL6004166 0.86 TGFBR1 (0.45) TGFBR1NPC1ALDH1A1MAPTNPSR1
SCHEMBL6004185 0.86 TGFBR1 (0.59) TGFBR1ATMNPC1RAB9ARUNX1
SCHEMBL6002928 0.85 TGFBR1 (0.40) TGFBR1MAPTEGFRRAF1BRAF
SCHEMBL6004231 0.80 TGFBR1 (0.59) TGFBR1NPC1KDM4E
SCHEMBL6004360 0.79 MRGPRX1 (0.58) TGFBR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL6004714 0.79 TGFBR1 (0.46) TGFBR1NPC1EGFRKDM4EFLT3
SCHEMBL6004743 0.74 KDR (0.50) EGFRRAF1BRAFCSF1RPDGFRB

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