SCHEMBL25278751

SCHEMBL25278751

CC(C)[Si](C#Cc1c(C(N)=O)ccc2[nH]ncc12)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
PIM1 P11309 1/20 0.36
SYK P43405 7/20 0.35
BTK Q06187 2/20 0.34
CSF1R P07333 2/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL31140728 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1PIM1SYK
SCHEMBL30478926 0.77 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1SYK
SCHEMBL25241679 0.77 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1SYK
SCHEMBL25776367 0.74 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1SYK
SCHEMBL31140712 0.72 JAK2 (0.44)
SCHEMBL25240947 0.72 JAK2 (0.44)
SCHEMBL25288291 0.70 CCNA2 (0.53) CCNA2CDK2CCNA1PIM1BTK
SCHEMBL26403639 0.69 CCNA2 (0.51) CCNA2CDK2CCNA1PIM1BTK
SCHEMBL4144293 0.69 CCNA2 (0.48) CCNA2CDK2CCNA1PIM1SYK
SCHEMBL30959345 0.69 IDO1 (0.45) TRPV1

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
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed