SCHEMBL30453667

SCHEMBL30453667

CNS(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]ccc1C)C(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.64
CDK2 P24941 3/20 0.61
KDR P35968 10/20 0.59
SRC P12931 14/20 0.57
LCK P06239 8/20 0.54
FYN P06241 8/20 0.54
YES1 P07947 8/20 0.54
FGFR1 P11362 8/20 0.54
PDGFRB P09619 7/20 0.54
NTRK1 P04629 1/20 0.50
FCER2 P06734 1/20 0.50
SYK P43405 1/20 0.50
NTRK3 Q16288 1/20 0.50
NTRK2 Q16620 1/20 0.50
AURKA O14965 1/20 0.49

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
SCHEMBL5405110 0.85 CDK2 (0.57) PDPK1CDK2KDRSRCLCK
SCHEMBL5365048 0.84 RET (0.67) PDPK1CDK2KDRSRCLCK
SCHEMBL5369843 0.81 SRC (0.59) CDK2KDRSRCLCKFYN
SCHEMBL7138258 0.81 MEN1 (0.66) CDK2KDRSRCLCKFYN
SCHEMBL5728095 0.81 PDPK1 (0.73) PDPK1CDK2KDRSRCLCK
SCHEMBL5363321 0.81 PDPK1 (0.73) PDPK1CDK2KDRSRCLCK
SCHEMBL7136883 0.80 SRC (0.58) CDK2KDRSRCLCKFYN
SCHEMBL5361470 0.80 SRC (0.63) CDK2KDRSRCLCKFYN
SCHEMBL5373623 0.80 SRC (0.55) CDK2KDRSRCLCKFYN
SCHEMBL5361428 0.80 LRRK2 (0.64) CDK2KDRSRCLCKFYN

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-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed