SCHEMBL791199

SCHEMBL791199

COc1ccc(CNc2nc3ccc(-c4cccc(N)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
KDR P35968 5/20 0.46
PIK3CA P42336 1/20 0.44
PTGDR Q13258 1/20 0.44
APP P05067 1/20 0.44
FGFR1 P11362 3/20 0.43
AKT1 P31749 1/20 0.42
ACP1 P24666 1/20 0.42
STAT6 P42226 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
LMNA P02545 1/20 0.41
FGFR2 P21802 2/20 0.41
FGFR3 P22607 2/20 0.41
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL789889 0.90 RAB9A (0.48) RAB9AKDRPIK3CAPTGDRAPP
SCHEMBL790416 0.87 MRGPRX4 (0.50) RAB9AKDRPIK3CAPTGDRAPP
SCHEMBL790392 0.84 KDR (0.48) RAB9AKDRLMNA
SCHEMBL789915 0.83 RAB9A (0.50) RAB9AKDRLMNA
SCHEMBL790646 0.83 KDR (0.47) RAB9AKDRSTAT6LMNA
SCHEMBL790093 0.81 SMN1; SMN2 (0.48) RAB9AKDRPIK3CASTAT6LMNA
SCHEMBL791145 0.79 KDR (0.46) RAB9AKDRPIK3CASTAT6CLK1
SCHEMBL791124 0.78 APP (0.46) RAB9APTGDRAPPACP1DYRK1A
SCHEMBL790621 0.77 KDR (0.46) RAB9AKDRSTAT6CLK1DYRK1A
SCHEMBL789696 0.77 JAK2 (0.48) RAB9APIK3CAPI4KAPIK3CGJAK2

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed