SCHEMBL8348238

SCHEMBL8348238

COc1cc(Nc2ccncc2)nc(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.53
PRKD3 O94806 1/20 0.53
PRKD1 Q15139 1/20 0.53
PRKD2 Q9BZL6 1/20 0.53
AGPAT2 O15120 10/20 0.50
ABCG2 Q9UNQ0 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNMA1 Q12791 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRAF P15056 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8348234 0.80 TGFBR1 (0.53) TGFBR1AGPAT2ABCG2MEN1KMT2A
SCHEMBL8345329 0.79 TGFBR1 (0.58) TGFBR1PRKD3PRKD1PRKD2MEN1
SCHEMBL8346584 0.77 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2AGPAT2
SCHEMBL8344305 0.76 RECQL (0.39) TGFBR1PRKD3PRKD1PRKD2AGPAT2
SCHEMBL8345332 0.74 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2
SCHEMBL16424643 0.74 RECQL (0.37) TGFBR1PRKD3PRKD1PRKD2AGPAT2
SCHEMBL8345684 0.70 TGFBR1 (0.63) TGFBR1PRKD3PRKD1PRKD2CYP1A2
SCHEMBL29381400 0.69 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL411646 0.69 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL29361383 0.69 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2ABCG2

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