SCHEMBL8346012

SCHEMBL8346012

NCCOc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.56
PRKD3 O94806 1/20 0.56
PRKD1 Q15139 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56
BUB1 O43683 17/20 0.49

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
SCHEMBL8344963 0.88 TGFBR1 (0.53) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8345332 0.86 TGFBR1 (0.59) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8345668 0.85 TGFBR1 (0.40) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344361 0.82 TGFBR1 (0.55) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8345684 0.80 TGFBR1 (0.63) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8347946 0.76 FLT1 (0.43) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344966 0.75 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344951 0.73 AGER (0.39) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8345584 0.73 BUB1 (0.50) BUB1
SCHEMBL8346587 0.73 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2BUB1

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