Sugi Predict

Sugi Predict / Compounds / SCHEMBL6002943

SCHEMBL6002943

SCHEMBL6002943

Cc1cc(Oc2ccnc3ccc(-c4ccccc4)cc23)c(-c2ccccn2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 13/20 0.47
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PIK3CA P42336 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ SRC P12931 3/20 0.37
▸ MAPKAPK2 P49137 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
SCHEMBL6003004 0.95 TGFBR1 (0.46) TGFBR1KDM4ENPC1SRCMAPKAPK2
SCHEMBL6005267 0.94 TGFBR1 (0.46) TGFBR1KDM4ENPC1PIK3CAFGFR2
SCHEMBL6005291 0.94 TGFBR1 (0.48) TGFBR1KDM4ENPC1PIK3CASRC
SCHEMBL6005329 0.93 TGFBR1 (0.45) TGFBR1KDM4ENPC1SRCMAPKAPK2
SCHEMBL6004154 0.92 TGFBR1 (0.47) TGFBR1KDM4ENPC1SRC
SCHEMBL6005332 0.92 TGFBR1 (0.47) TGFBR1KDM4ENPC1FGFR2SRC
SCHEMBL6004076 0.91 TGFBR1 (0.46) TGFBR1KDM4ENPC1
SCHEMBL6004844 0.91 TGFBR1 (0.44) TGFBR1KDM4ENPC1PIK3CA
SCHEMBL6004938 0.91 TGFBR1 (0.44) TGFBR1KDM4ENPC1MAPKAPK2
SCHEMBL6004309 0.89 TGFBR1 (0.44) TGFBR1KDM4ENPC1PIK3CA

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