SCHEMBL6182970

SCHEMBL6182970

CC(Oc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.42
ACVR1B P36896 2/20 0.38
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6181804 0.83 TGFBR1 (0.42) TGFBR1ACVR1B
Gw679410X SCHEMBL376414 0.80 TGFBR1 (0.63) TGFBR1ACVR1B
Gw682841X SCHEMBL412218 0.79 TGFBR1 (0.61) TGFBR1ACVR1B
SCHEMBL6327636 0.78 TGFBR1 (0.40) TGFBR1ACVR1B
SCHEMBL6180369 0.78 TGFBR1 (0.59) TGFBR1ACVR1B
SCHEMBL29504110 0.77 TGFBR1 (0.56) TGFBR1
SCHEMBL154508 0.77 TGFBR1 (0.56) TGFBR1
SCHEMBL373364 0.76 TGFBR1 (0.70) TGFBR1ACVR1B
SCHEMBL6178618 0.76 TGFBR1 (0.59) TGFBR1ACVR1B
Gw680975X SCHEMBL373303 0.76 TGFBR1 (0.59) TGFBR1ACVR1B

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-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP claimed