SCHEMBL3390029

SCHEMBL3390029

Nc1ccnc(-c2cc(-c3ccccc3F)nc3ncccc23)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
NPC1 O15118 2/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
DHODH Q02127 1/20 0.40
FEN1 P39748 2/20 0.39
TGFBR1 P36897 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADORA2A P29274 3/20 0.37
MPL P40238 1/20 0.37
ADORA1 P30542 2/20 0.36
ALOX5AP P20292 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL244104 0.85 F2 (0.40) F2F10F7F3NPC1
SCHEMBL1816075 0.85 ADORA2A (0.48) NPC1GABRG2GABRB3GABRA5GABRA3
SCHEMBL243475 0.84 F2 (0.43) F2F10F7F3NPC1
Hydrochloric Acid SCHEMBL244877 0.83 F2 (0.42) F2F10F7F3NPC1
SCHEMBL12424799 0.83 F2 (0.50) F2F10F7F3NPC1
SCHEMBL3385436 0.81 MAP4K4 (0.41) F2F10F7F3NPC1
SCHEMBL2302917 0.80 NPC1 (0.46) F2F10F7F3NPC1
SCHEMBL3391607 0.79 TGFBR1 (0.46) F2F10F7F3NPC1
Sulfuric Acid SCHEMBL244912 0.79 F2 (0.41) F2F10F7F3NPC1
Phosphoric Acid SCHEMBL21748386 0.79 F2 (0.41) F2F10F7F3NPC1

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
EP-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed