SCHEMBL4840411

SCHEMBL4840411

c1ccc(-c2nc(Nc3ccncc3)c3cccnc3n2)cc1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 17/20 0.86
TGFBR1 P36897 1/20 0.70
MAPK14 Q16539 1/20 0.70
KDM4E B2RXH2 1/20 0.62
PDE5A O76074 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL14344499 0.88 ABCG2 (0.67) ABCG2TGFBR1MAPK14KDM4EPDE5A
SCHEMBL14344506 0.86 ABCG2 (0.64) ABCG2
SCHEMBL14344371 0.85 ABCG2 (0.63) ABCG2
SCHEMBL14344376 0.85 ABCG2 (0.73) ABCG2TGFBR1KDM4E
SCHEMBL14344385 0.85 ABCG2 (0.67) ABCG2
SCHEMBL14344473 0.84 ABCG2 (0.62) ABCG2TGFBR1MAPK14
SCHEMBL14344471 0.82 ABCG2 (0.62) ABCG2KDM4EHPGDSMN1; SMN2
SCHEMBL412953 0.82 TGFBR1 (1.00) ABCG2TGFBR1MAPK14KDM4EPDE5A
SCHEMBL31061048 0.82 TGFBR1 (1.00) ABCG2TGFBR1MAPK14KDM4EPDE5A
SCHEMBL14344497 0.82 ABCG2 (0.84) ABCG2KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US claimed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed