SCHEMBL8237983

SCHEMBL8237983

COc1ccc2c(c1)CCn1c-2nc(-c2ccc3ncnn3c2)c1-c1cccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.49
MAPK14 Q16539 5/20 0.49

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
SCHEMBL8238164 0.93 TGFBR1 (0.57) TGFBR1MAPK14
SCHEMBL8229446 0.82 TGFBR1 (0.58) TGFBR1MAPK14
SCHEMBL8237303 0.81 TGFBR1 (0.59) TGFBR1
SCHEMBL8236653 0.79 TGFBR1 (0.60) TGFBR1MAPK14
SCHEMBL4791364 0.76 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL16298331 0.70 TGFBR1 (0.37) TGFBR1MAPK14
SCHEMBL8236655 0.69 TGFBR1 (0.50) TGFBR1MAPK14
SCHEMBL8236356 0.67 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL21083428 0.67 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL410500 0.67 TGFBR1 (0.65) 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
WO-2007076127-A2 CONDENSED IMIDAZOLES OR PYRAZOLES AND THEIR USE AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 WO disclosed