SCHEMBL23239689

SCHEMBL23239689

Cn1cc(C#CCOc2ccccc2)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 1/20 0.45
▸ NUDT5 Q9UKK9 1/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ BTK Q06187 9/20 0.43
▸ LCK P06239 4/20 0.42
▸ SRC P12931 4/20 0.42
▸ TEK Q02763 3/20 0.42
▸ KDR P35968 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RET P07949 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL16361030 0.79 LRRK2 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20810788 0.79 LRRK2 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23239688 0.79 LCK (0.64) BTKLCKSRCTEKKDR
SCHEMBL23217241 0.79 LCK (0.64) BTKLCKSRCTEKKDR
SCHEMBL25061790 0.79 LCK (0.64) BTKLCKSRCTEKKDR
SCHEMBL24965973 0.78 AHCY (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23239687 0.78 BTK (0.48) BTKLCKSRCTEKKDR
SCHEMBL24023299 0.77 LRRK2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23589788 0.75 LRRK2 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23589789 0.75 FGFR2 (0.39) LCKKDRABL1RET

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-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
Send feedback