SCHEMBL8348242

SCHEMBL8348242

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.51
ACVRL1 P37023 4/20 0.51
ACVR1B P36896 3/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
CD274 Q9NZQ7 1/20 0.47
PDE4B Q07343 1/20 0.47
BUB1 O43683 1/20 0.46
TGFBR2 P37173 2/20 0.46
EPHX2 P34913 1/20 0.46
PDE5A O76074 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5954484 0.96 TGFBR1 (0.50) TGFBR1ACVRL1ACVR1BMEN1ALDH1A1
SCHEMBL5955511 0.87 TGFBR1 (0.54) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL8348081 0.86 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL5954832 0.86 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL8347338 0.86 TGFBR1 (0.59) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL5954828 0.86 TGFBR1 (0.60) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL5954715 0.86 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL8346119 0.86 TGFBR1 (0.57) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL3826786 0.85 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL14223120 0.85 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1

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