SCHEMBL2394048

SCHEMBL2394048

Fc1ccc(Cl)cc1-c1nc(Nc2ccccn2)c2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 17/20 0.52
PRKD3 O94806 1/20 0.51
TGFBR1 P36897 1/20 0.51
PRKD1 Q15139 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
MAT2A P31153 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.41

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
SCHEMBL2394051 0.84 TGFBR1 (0.72) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL5555419 0.81 TGFBR1 (0.53) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL12261412 0.81 PRKD3 (0.56) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL5551427 0.79 PRKD3 (0.48) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2396089 0.79 TGFBR1 (0.51) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL5551847 0.79 TGFBR1 (0.51) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2210408 0.76 TGFBR1 (0.53) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL2491506 0.75 TGFBR1 (0.54) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL14344386 0.74 PRKD3 (0.58) ABCG2PRKD3TGFBR1PRKD1PRKD2
SCHEMBL14564461 0.74 TGFBR1 (0.56) ABCG2PRKD3TGFBR1PRKD1PRKD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022077-B2 Pyrido[2,3-d]pyrimidines useful as HCV inhibitors, and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-09-20 US disclosed
EP-1888580-B1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARM LTD (IE) 2010-03-03 EP disclosed
EP-1888580-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-02-20 EP disclosed
WO-2006120252-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 WO disclosed