SCHEMBL28564679

SCHEMBL28564679

Cn1cncc1-c1nc2c[n+]([O-])ccc2s1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
S1PR1 P21453 1/20 0.33
IDO1 P14902 3/20 0.33
HPGDS O60760 1/20 0.31
GBA1 P04062 1/20 0.30

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
SCHEMBL28567297 0.77 PIK3CD (0.41) MYCS1PR1
SCHEMBL28567194 0.76 MYC (0.39) MYCS1PR1IDO1HPGDS
SCHEMBL28575546 0.75 MYC (0.38) MYC
SCHEMBL28575556 0.74 PIK3CD (0.43) MYC
SCHEMBL28560814 0.73 NPC1 (0.41) MYC
SCHEMBL28567175 0.72 KDM4E (0.57) MYC
SCHEMBL28914040 0.71 MYC (0.37) MYC
SCHEMBL28571748 0.71 MYC (0.40) MYC
SCHEMBL28561269 0.70 KDM4E (0.46)
SCHEMBL28561897 0.70 KDM4E (0.60) MYC

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-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed