SCHEMBL4857740

SCHEMBL4857740

Cc1cccc(-c2nc3nc(N)ccn3c2-c2ccc3nn[nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.39
MAPK14 Q16539 10/20 0.38
MAPK13 O15264 7/20 0.38
MAPK12 P53778 7/20 0.38
MAPK11 Q15759 7/20 0.38
KDR P35968 1/20 0.35
CYP2D6 P10635 1/20 0.34
TGFBR2 P37173 1/20 0.34
MAP3K20 Q9NYL2 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 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
SCHEMBL4867900 0.82 TGFBR1 (0.56) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4860157 0.81 TGFBR1 (0.43) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4866086 0.80 TGFBR1 (0.56) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4860805 0.78 TGFBR1 (0.57) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4859601 0.78 MAPK14 (0.44) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4863569 0.77 MAPK14 (0.59) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4863393 0.72 TGFBR1 (0.55) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4868497 0.71 TGFBR1 (0.60) TGFBR1MAPK14
SCHEMBL412627 0.70 MAPK14 (0.55) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4038621 0.70 TGFBR1 (0.40) TGFBR1MAPK14CYP2D6TGFBR2MAP3K20

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
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 US claimed