SCHEMBL8347398

SCHEMBL8347398

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1-c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.40
TGFBR2 P37173 4/20 0.40
PRKD3 O94806 1/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
MAPK3 P27361 1/20 0.36
ACVRL1 P37023 4/20 0.34
ACVR1B P36896 3/20 0.34
ACVR1 Q04771 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8345867 0.82 TGFBR1 (0.51) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8348251 0.81 TGFBR1 (0.41) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344445 0.81 TGFBR1 (0.44) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8347181 0.80 TGFBR1 (0.47) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8347168 0.79 TGFBR1 (0.47) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8345869 0.78 TGFBR1 (0.46) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344223 0.77 TGFBR1 (0.40) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344535 0.77 TGFBR1 (0.41) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8345668 0.76 TGFBR1 (0.40) TGFBR1TGFBR2PRKD3PRKD1PRKD2
SCHEMBL8344954 0.76 PTGER1 (0.42) TGFBR1TGFBR2PRKD3PRKD1PRKD2

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-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed