SCHEMBL28129286

SCHEMBL28129286

O=CNc1ccc2ncc(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDR P35968 2/20 0.51
PDGFRB P09619 1/20 0.51
FLT3 P36888 1/20 0.51
TLR9 Q9NR96 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 1/20 0.46
MAPK1 P28482 2/20 0.46
ABL1 P00519 2/20 0.46
YES1 P07947 2/20 0.46
NTRK1 P04629 1/20 0.46
PIM1 P11309 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL12826469 0.83 RAB9A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27658585 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL400452 0.78 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL3194098 0.73 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL29194186 0.72 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL5225670 0.72 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL1550600 0.72 TLR9 (0.87) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL13541764 0.72 NPC1 (0.70) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL28760253 0.72 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL30846535 0.72 NPC1 (0.70) NPC1RAB9ASMN1; SMN2KDRPDGFRB

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
CN-106458934-B Quinoxaline compounds and application thereof 米伦纽姆医药公司 2019-08-16 CN disclosed
CN-106458934-A Quinoxaline compounds and uses thereof 米伦纽姆医药公司 2017-02-22 CN disclosed