SCHEMBL6004875

SCHEMBL6004875

Cc1cc(Oc2ccnc3cc(-c4ccccc4N)ccc23)c(-c2ccccn2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.44
DHFR P00374 3/20 0.41
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RET P07949 1/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
PKMYT1 Q99640 1/20 0.35

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
SCHEMBL6002945 0.92 TGFBR1 (0.44) TGFBR1DHFRKDM4ENPC1
SCHEMBL6004802 0.89 TGFBR1 (0.48) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6005332 0.87 TGFBR1 (0.47) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004764 0.86 TGFBR1 (0.44) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002897 0.86 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004676 0.85 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6004158 0.84 RET (0.47) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002953 0.83 TGFBR1 (0.41) TGFBR1KDM4ENPC1RETRIPK1
SCHEMBL6002905 0.83 TGFBR1 (0.44) TGFBR1DHFRKDM4ENPC1RET
SCHEMBL6004149 0.83 TGFBR1 (0.46) TGFBR1KDM4ENPC1RETRIPK1

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