SCHEMBL6004802

SCHEMBL6004802

Cc1cc(Oc2ccnc3cc(-c4ccccn4)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.48
RET P07949 2/20 0.46
RIPK1 Q13546 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
PKMYT1 Q99640 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MET P08581 1/20 0.39
FLT3 P36888 1/20 0.38
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
SRC P12931 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
SCHEMBL6005332 0.94 TGFBR1 (0.47) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6002897 0.93 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6004676 0.92 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6005291 0.91 TGFBR1 (0.48) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6004158 0.91 RET (0.47) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6004764 0.89 TGFBR1 (0.44) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6004875 0.89 TGFBR1 (0.44) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6002905 0.89 TGFBR1 (0.44) TGFBR1RETRIPK1RIPK3KDM4E
SCHEMBL6004149 0.89 TGFBR1 (0.46) TGFBR1RETRIPK1RIPK3PKMYT1
SCHEMBL6004307 0.89 TGFBR1 (0.52) 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