SCHEMBL6004244

SCHEMBL6004244

Cc1cc(Oc2ccnc3ccncc23)c(-c2ccccn2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.48
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
METAP2 P50579 1/20 0.36
METAP1 P53582 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
SCHEMBL6004307 0.89 TGFBR1 (0.52) TGFBR1KDM4ENPC1
SCHEMBL6002965 0.85 TGFBR1 (0.49) TGFBR1KDM4ENPC1METAP2METAP1
SCHEMBL6005267 0.85 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6004134 0.85 KDM4E (0.52) TGFBR1KDM4ENPC1METAP2METAP1
SCHEMBL6004844 0.85 TGFBR1 (0.44) TGFBR1KDM4ENPC1CDK8
SCHEMBL6005291 0.84 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004657 0.83 TGFBR1 (0.57) TGFBR1KDM4ENPC1METAP2METAP1
SCHEMBL6004725 0.83 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004264 0.83 TGFBR1 (0.48) TGFBR1KDM4ENPC1
SCHEMBL6004226 0.83 TGFBR1 (0.48) TGFBR1KDM4ENPC1METAP2METAP1

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