SCHEMBL30338403

SCHEMBL30338403

COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 1.00
BTK Q06187 4/20 1.00
LCK P06239 3/20 1.00
KDR P35968 2/20 0.79
JAK3 P52333 1/20 0.79
TEK Q02763 1/20 0.79
SRC P12931 1/20 0.47
AXL P30530 1/20 0.46

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
SCHEMBL30338571 0.96 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL30338605 0.92 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL17859384 0.81 TNK2 (0.88) TNK2BTKLCKKDRJAK3
SCHEMBL30338625 0.78 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL30339004 0.77 TNK2 (1.00) TNK2BTKLCKKDRJAK3
SCHEMBL2956876 0.77 TNK2 (0.69) TNK2BTKLCKKDRJAK3
SCHEMBL2957589 0.76 TNK2 (0.68) TNK2BTKLCKKDRJAK3
SCHEMBL30338308 0.76 TNK2 (0.87) TNK2BTKLCKKDRJAK3
SCHEMBL2949506 0.76 TNK2 (0.87) TNK2BTKLCKKDRJAK3
SCHEMBL30338621 0.75 TNK2 (1.00) TNK2BTKLCKKDRJAK3

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