SCHEMBL30338396

SCHEMBL30338396

COC(=O)N1CCN(c2ccc(Nc3ccc4c(Nc5c(Cl)cccc5Cl)nn(CCC(C)(C)OC)c4c3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.56
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
LCK P06239 2/20 0.38
BTK Q06187 2/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
TEK Q02763 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
DGAT1 O75907 2/20 0.37
WEE1 P30291 2/20 0.37

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
SCHEMBL4699387 0.94 TNK2 (0.56) TNK2LCKBTKKDRJAK3
SCHEMBL2958057 0.89 TNK2 (0.49) TNK2SMN1; SMN2CCNKCCNA2CDK2
SCHEMBL2957631 0.74 TNK2 (0.62) TNK2LCKBTKKDRJAK3
SCHEMBL2959345 0.70 TNK2 (0.46) TNK2CDK9CDK6WEE1ALK
SCHEMBL30338434 0.66 TNK2 (0.55) TNK2LCKBTKKDRJAK3
SCHEMBL2955423 0.65 TNK2 (0.76) TNK2LCKBTKKDRJAK3
SCHEMBL13239773 0.63 TNK2 (0.81) TNK2LCKBTKKDRJAK3
SCHEMBL30338625 0.63 TNK2 (1.00) TNK2LCKBTKKDRJAK3
SCHEMBL30338350 0.63 POLB (0.45) TNK2BTK
SCHEMBL30338295 0.61 TNK2 (0.42) TNK2BTK

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-2023039548-A1 KINASE INHIBITORS FOR THE TREATMENT OF PROSTATE CANCER FRED HUTCHINSON CANCER CENTER (US) 2023-03-16 WO disclosed