SCHEMBL4033287

SCHEMBL4033287

Cc1cccc(-c2oc(C)nc2-c2ccc3c(c2)N(C)NN3)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.34
MAPK14 Q16539 7/20 0.34
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1B P36896 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
PTGS2 P35354 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL4029883 0.75 TGFBR1 (0.39) TGFBR1MAPK14CCR1CCR8MAPK13
SCHEMBL4032039 0.73 FAAH (0.38) TGFBR1MAPK14CCR1CCR8MAPK13
SCHEMBL4032537 0.72 TGFBR1 (0.58) TGFBR1MAPK14RIPK2ACVR1BMTOR
SCHEMBL4030943 0.71 TGFBR1 (0.57) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4035598 0.71 TGFBR1 (0.51) TGFBR1MAPK14MTOR
SCHEMBL4033073 0.66 TGFBR1 (0.42) TGFBR1MAPK14CCR1CCR8MTOR
SCHEMBL4030453 0.65 MAPK14 (0.44) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4033251 0.65 MAPK14 (0.40) TGFBR1MAPK14RIPK2MAPK13MAPK12
SCHEMBL4029836 0.64 TGFBR1 (0.38) TGFBR1MAPK14CCR1CCR8
SCHEMBL4031270 0.63 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BMTOR

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