SCHEMBL6002953

SCHEMBL6002953

Cc1cc(Oc2ccnc3cc(-c4csc5ccccc45)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.41
RET P07949 1/20 0.35
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
PDE10A Q9Y233 1/20 0.33
PKMYT1 Q99640 1/20 0.33
MET P08581 1/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL6004287 0.93 TGFBR1 (0.41) TGFBR1KDM4ENPC1PDE10A
SCHEMBL6004802 0.86 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004676 0.84 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6005332 0.84 TGFBR1 (0.47) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004875 0.83 TGFBR1 (0.44) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6002897 0.83 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6005052 0.83 TGFBR1 (0.44) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004307 0.81 TGFBR1 (0.52) TGFBR1KDM4ENPC1
SCHEMBL6004158 0.81 RET (0.47) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004149 0.80 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3KDM4E

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