SCHEMBL28453477

SCHEMBL28453477

Cc1nnc(-c2csc(C=O)n2)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.32
▸ RET P07949 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL475763 0.67 — —
SCHEMBL6558278 0.66 NPC1 (0.37) LCKRETMAPK14KDM4E
SCHEMBL4223905 0.62 CYP2A6 (0.43) KDM4E
SCHEMBL3452914 0.61 MAPT (0.44) LCKRETMAPK14KDM4E
SCHEMBL5822388 0.61 MEN1 (0.32) KDM4E
SCHEMBL7812541 0.61 KDM4E (0.40) LCKRETMAPK14KDM4E
SCHEMBL6818275 0.61 RAB9A (0.56) KDM4E
SCHEMBL3615585 0.61 ALDH1A1 (0.58) KDM4E
SCHEMBL6558320 0.61 SPHK2 (0.46) LCKRETMAPK14
SCHEMBL548197 0.60 — —

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-111587249-A Indole compounds and uses thereof 阿里根公司 2020-08-25 — — CN disclosed
Send feedback