SCHEMBL8344966

SCHEMBL8344966

CCCCCCCOc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.39
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
TGFBR2 P37173 2/20 0.38
EGFR P00533 1/20 0.38
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE2A O00408 1/20 0.37
BUB1 O43683 5/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
KCNH2 Q12809 1/20 0.35
SGMS2 Q8NHU3 2/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL8345668 0.90 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8347946 0.89 FLT1 (0.43) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344951 0.88 AGER (0.39) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344963 0.87 TGFBR1 (0.53) TGFBR1PRKD3PRKD1PRKD2EGFR
SCHEMBL8347168 0.86 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8348247 0.84 FLT1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8348227 0.84 FGFR1 (0.46) TGFBR1EGFRACVR1BBUB1FLT1
SCHEMBL8344954 0.84 PTGER1 (0.42) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344535 0.83 TGFBR1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8348965 0.81 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2TGFBR2

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