SCHEMBL28097563

SCHEMBL28097563

Nc1c[nH]nc1-c1ccc(Oc2ccccc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.43
MAOB P27338 4/20 0.40
MAOA P21397 4/20 0.40
SCN9A Q15858 1/20 0.38
FEN1 P39748 2/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
NLRP1 Q9C000 1/20 0.37
NOD2 Q9HC29 1/20 0.37
BTK Q06187 2/20 0.36

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
SCHEMBL27568104 0.77 ERBB2 (0.49) TNK2MAOASCN9AMAPTNPC1
Hydrochloric Acid SCHEMBL23701631 0.76 ADORA2A (0.42) ALDH1A1
SCHEMBL28203856 0.75 NCOA1 (0.46) MAOASMN1; SMN2
SCHEMBL15519110 0.74 PIK3CD (0.48) TNK2BTK
SCHEMBL29611096 0.74 PIK3CD (0.48) TNK2BTK
SCHEMBL30127396 0.73 MAOA (0.54) MAOBMAOAMAPTSMN1; SMN2NPC1
SCHEMBL16792619 0.73 MAOA (0.54) MAOBMAOAMAPTSMN1; SMN2NPC1
SCHEMBL31375095 0.71 TNK2 (0.43) TNK2MAOBMAOASCN9AFEN1
SCHEMBL19353387 0.71 PIM1 (0.41) TNK2MAOBMAOAFEN1MAPT
SCHEMBL6003624 0.71 ALDH1A1 (0.40) TNK2MAOAMAPTSMN1; SMN2NPC1

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
CN-103534258-B Tyrosine kinase inhibitor 普林斯匹亚生物制药公司 2016-09-14 CN disclosed