SCHEMBL789889

SCHEMBL789889

COc1ccc(CNc2nc3ccc(-c4cncc(N)c4)cc3cc2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
KDR P35968 5/20 0.45
PIK3CA P42336 1/20 0.43
PTGDR Q13258 1/20 0.43
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
YES1 P07947 2/20 0.42
PIM1 P11309 1/20 0.42
MAPK1 P28482 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
APP P05067 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
FGFR1 P11362 2/20 0.42
ACP1 P24666 1/20 0.40
FGFR3 P22607 2/20 0.40
FGFR2 P21802 1/20 0.40
STAT6 P42226 1/20 0.39

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
SCHEMBL791199 0.90 RAB9A (0.50) RAB9ACLK1DYRK1AKDRPIK3CA
SCHEMBL790621 0.83 KDR (0.46) RAB9ACLK1DYRK1AKDRABL1
SCHEMBL791145 0.83 KDR (0.46) RAB9ACLK1DYRK1AKDRPIK3CA
SCHEMBL790416 0.81 MRGPRX4 (0.50) RAB9ACLK1DYRK1AKDRPIK3CA
SCHEMBL790421 0.79 APP (0.42) DYRK1AAPPACP1
SCHEMBL790392 0.78 KDR (0.48) RAB9AKDRMAPK1
SCHEMBL790093 0.78 SMN1; SMN2 (0.48) RAB9AKDRPIK3CAMAPK1STAT6
SCHEMBL789915 0.77 RAB9A (0.50) RAB9AKDRMAPK1
SCHEMBL790646 0.77 KDR (0.47) RAB9AKDRSTAT6
SCHEMBL14702038 0.71 RAB9A (0.52) RAB9APIK3CAFGFR1ACP1

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