SCHEMBL21756136

SCHEMBL21756136

Bc1cc(-c2ccccc2F)nc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.44
DHODH Q02127 1/20 0.43
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK14 Q16539 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 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
SCHEMBL3378871 0.82 F2 (0.50) F2F10F7F3NPC1
SCHEMBL12424799 0.82 F2 (0.50) F2F10F7F3NPC1
SCHEMBL246960 0.82 F2 (0.50) F2F10F7F3NPC1
SCHEMBL12424712 0.82 KDM4E (0.51) F2F10F7F3NPC1
SCHEMBL16639250 0.81 NPC1 (0.44) F2F10F7F3NPC1
SCHEMBL245109 0.80 F2 (0.48) F2F10F7F3NPC1
SCHEMBL12440226 0.79 F2 (0.47) F2F10F7F3NPC1
SCHEMBL2302917 0.77 NPC1 (0.46) F2F10F7F3NPC1
SCHEMBL3391607 0.76 TGFBR1 (0.46) F2F10F7F3NPC1
SCHEMBL2302228 0.75 TGFBR1 (0.64) 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 1 patent. 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