SCHEMBL4032942

SCHEMBL4032942

Cc1cccc(-c2ocnc2-c2ccnc(-c3ccccc3N)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.39
MAPK14 Q16539 8/20 0.39
KDR P35968 3/20 0.36
RIPK2 O43353 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
SCHEMBL4033251 0.84 MAPK14 (0.40) TGFBR1MAPK14KDRRIPK2
SCHEMBL4031950 0.82 MAPK14 (0.40) TGFBR1MAPK14KDRRIPK2
SCHEMBL4032576 0.76 MAPK14 (0.44) TGFBR1MAPK14KDR
SCHEMBL4032785 0.74 TGFBR1 (0.62) TGFBR1MAPK14KDRRIPK2
SCHEMBL4034944 0.72 TGFBR1 (0.53) TGFBR1MAPK14KDR
SCHEMBL3723641 0.72 CCR1 (0.58) TGFBR1
SCHEMBL4032610 0.71 TGFBR1 (0.60) TGFBR1MAPK14
SCHEMBL18543857 0.70 ALDH1A1 (0.48) TGFBR1
SCHEMBL4034948 0.70 TGFBR1 (0.45) TGFBR1
SCHEMBL16526730 0.70 TGFBR1 (0.53) TGFBR1MAPK14

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-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP claimed