SCHEMBL12443825

SCHEMBL12443825

Cc1c(-c2cccc3c2SCC3)oc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 8/20 0.50
▸ TAB1 Q15750 8/20 0.50
▸ MAP4K3 Q8IVH8 5/20 0.49
▸ AURKB Q96GD4 5/20 0.45
▸ MET P08581 4/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ GRK5 P34947 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ KDR P35968 3/20 0.43
▸ ACVRL1 P37023 3/20 0.43
▸ ACVR1 Q04771 3/20 0.43
▸ KCNH2 Q12809 2/20 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
SCHEMBL659096 0.82 MAP3K7 (0.66) MAP3K7TAB1MAP4K3METGRK2
SCHEMBL10217357 0.82 MAP3K7 (0.71) MAP3K7TAB1MAP4K3AURKBMET
Hydrochloric Acid SCHEMBL659849 0.81 MAP3K7 (0.65) MAP3K7TAB1MAP4K3METGRK2
Hydrochloric Acid SCHEMBL658840 0.81 MAP3K7 (0.70) MAP3K7TAB1MAP4K3AURKBMET
SCHEMBL12443769 0.75 MAP3K7 (0.59) MAP3K7TAB1AURKBKDR
SCHEMBL10217366 0.74 GRK5 (0.59) MAP3K7TAB1MAP4K3METGRK2
SCHEMBL12444634 0.74 MAP3K7 (0.68) MAP3K7TAB1MAP4K3AURKBKDR
Hydrochloric Acid SCHEMBL660282 0.74 GRK5 (0.58) MAP3K7TAB1MAP4K3METGRK2
SCHEMBL10217380 0.73 MAP3K7 (0.66) MAP3K7TAB1MAP4K3AURKBMET
Hydrochloric Acid SCHEMBL659954 0.73 MAP3K7 (0.65) MAP3K7TAB1MAP4K3AURKBMET

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-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 — — WO disclosed
Send feedback