SCHEMBL6002912

SCHEMBL6002912

Cc1cc(Oc2ncnc3ccccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.41
EGFR P00533 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
METAP1 P53582 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
SCHEMBL6004166 0.88 TGFBR1 (0.45) TGFBR1KDM4ENPC1MAPTNPSR1
SCHEMBL6002915 0.88 TGFBR1 (0.45) TGFBR1KDM4ENPC1MAPTALDH1A1
SCHEMBL6004756 0.87 TGFBR1 (0.56) TGFBR1KDM4ENPC1MAPTNPSR1
SCHEMBL6004691 0.86 TGFBR1 (0.52) TGFBR1EGFR
SCHEMBL6005338 0.86 EGFR (0.40) TGFBR1NPC1MAPTL3MBTL1RECQL
SCHEMBL6004307 0.84 TGFBR1 (0.52) TGFBR1KDM4ENPC1MAPTL3MBTL1
SCHEMBL6004714 0.82 TGFBR1 (0.46) TGFBR1KDM4ENPC1EGFR
SCHEMBL6004360 0.82 MRGPRX1 (0.58) TGFBR1KDM4ENPC1LMNAALDH1A1
SCHEMBL6002965 0.77 TGFBR1 (0.49) TGFBR1KDM4ENPC1MAPTL3MBTL1
SCHEMBL6004781 0.77 MRGPRX1 (0.59) TGFBR1MAPT

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