SCHEMBL790400

SCHEMBL790400

Nc1nc2ccc(-c3cncc(NC(=O)C(F)(F)F)c3)cc2cc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
ATR Q13535 2/20 0.41
JAK2 O60674 2/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
BRAF P15056 3/20 0.39
DGAT1 O75907 1/20 0.39
RAF1 P04049 2/20 0.39
LRRK2 Q5S007 2/20 0.38
FYN P06241 1/20 0.38
FGFR1 P11362 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
KCNH2 Q12809 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL790786 0.85 ALDH1A1 (0.52) PI4KAPIK3CGJAK2FPR1FPR2
SCHEMBL790553 0.85 ATR (0.49) PI4KAPIK3CGATRJAK2BRAF
SCHEMBL789511 0.76 SMN1; SMN2 (0.59) ATRMEN1ALDH1A1MAPTKMT2A
SCHEMBL790788 0.76 NPC1 (0.54) ATRJAK2DGAT1
SCHEMBL807273 0.75 ALDH1A1 (0.53) PI4KAPIK3CGJAK2ALDH1A1
SCHEMBL3784845 0.75 MAPT (0.51) JAK2FPR1FPR2BRAFDGAT1
SCHEMBL789721 0.73 MAPK14 (0.51) BRAFRAF1MEN1ALDH1A1MAPT
Formic Acid SCHEMBL790534 0.72 ALDH1A1 (0.50) PI4KAPIK3CGJAK2ALDH1A1DYRK1A
SCHEMBL789670 0.72 PI4KA (0.51) PI4KAPIK3CGLRRK2FYNMEN1
SCHEMBL789696 0.72 JAK2 (0.48) PI4KAPIK3CGJAK2LRRK2FYN

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