SCHEMBL6496546

SCHEMBL6496546

O=C(Nc1cccc(Nn2nc(C=Cc3ccccc3)c3ccccc32)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.53
SNCA P37840 2/20 0.51
FGFR1 P11362 2/20 0.49
KCNK3 O14649 6/20 0.49
KCNK9 Q9NPC2 4/20 0.49
PKM P14618 1/20 0.48
SIRT1 Q96EB6 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL22543054 0.75 SNCA (0.83) SNCAKCNK3KCNK9PKMSIRT1
SCHEMBL6283770 0.74 KDR (0.59) KDRSNCAFGFR1KCNK3KCNK9
SCHEMBL5249531 0.70 KDR (0.53) KDRSNCAFGFR1KCNK3KCNK9
SCHEMBL2298254 0.70 KCNK3 (1.00) KCNK3KCNK9SIRT1ALDH1A1MAPT
SCHEMBL5249980 0.69 KDR (1.00) KDRFGFR1
SCHEMBL5249981 0.69 KDR (1.00) KDRFGFR1
SCHEMBL6276176 0.69 KDR (0.55) KDRSNCAFGFR1MAPTMEN1
SCHEMBL22543018 0.68 PKM (0.72) SNCAKCNK3KCNK9PKMSIRT1
SCHEMBL5247768 0.67 KDR (1.00) KDRFGFR1
SCHEMBL5247760 0.67 KDR (1.00) KDRFGFR1

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
US-6884890-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-04-26 US disclosed