SCHEMBL4031950

SCHEMBL4031950

Cc1cccc(-c2nc(C)oc2-c2ccnc(-c3ccccc3N)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TGFBR1 P36897 18/20 0.39
KDR P35968 3/20 0.36
RIPK2 O43353 1/20 0.35
ATR Q13535 1/20 0.34

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 0.91 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4032942 0.82 TGFBR1 (0.39) MAPK14TGFBR1KDRRIPK2
SCHEMBL4030407 0.76 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4031270 0.74 TGFBR1 (0.62) MAPK14TGFBR1KDRRIPK2
SCHEMBL4032549 0.72 TGFBR1 (0.53) MAPK14TGFBR1KDR
SCHEMBL3723641 0.72 CCR1 (0.58) TGFBR1
SCHEMBL4033235 0.71 TGFBR1 (0.60) MAPK14TGFBR1
SCHEMBL18543857 0.70 ALDH1A1 (0.48) TGFBR1
SCHEMBL4036048 0.70 TGFBR1 (0.45) TGFBR1ATR
SCHEMBL16526730 0.70 TGFBR1 (0.53) MAPK14TGFBR1

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