SCHEMBL6004561

SCHEMBL6004561

Cc1cc(Oc2ccnc3cc(C(F)(F)F)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.48
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CBFB Q13951 1/20 0.39
GAK O14976 1/20 0.38
PPP1CA P62136 1/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36

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
SCHEMBL6004840 0.92 TGFBR1 (0.50) TGFBR1KDM4ENPC1CBFBGAK
SCHEMBL3896210 0.87 GAK (0.37) TGFBR1GAKKDR
SCHEMBL6004802 0.85 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004307 0.85 TGFBR1 (0.52) TGFBR1KDM4ENPC1BRAF
SCHEMBL6004261 0.84 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004842 0.84 TGFBR1 (0.48) TGFBR1KDM4ENPC1MAPK14
SCHEMBL6002846 0.84 TGFBR1 (0.48) TGFBR1KDM4ENPC1GAK
SCHEMBL6004134 0.84 KDM4E (0.52) TGFBR1KDM4ENPC1CBFB
SCHEMBL6004231 0.83 TGFBR1 (0.59) TGFBR1KDM4ENPC1KDR
SCHEMBL6005332 0.83 TGFBR1 (0.47) 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