SCHEMBL28927875

SCHEMBL28927875

Cc1cccc(F)c1-c1cc2c(-c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)nc3C)cnc(N)c2cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
MAP3K7 O43318 2/20 0.38
TAB1 Q15750 2/20 0.38
NSD2 O96028 1/20 0.37
BTK Q06187 1/20 0.36
RET P07949 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
SRC P12931 2/20 0.36
ABL2 P42684 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PIK3CA P42336 1/20 0.36
TNK2 Q07912 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL28927868 0.93 GPR119 (0.38) GPR119MAP3K7TAB1NSD2BTK
SCHEMBL28636439 0.89 MAP3K7 (0.51) MAP3K7TAB1RETTNK2
SCHEMBL28927885 0.85 MAP4K3 (0.43) MAP3K7TAB1KDM1A
SCHEMBL28645666 0.83 GPR119 (0.43) GPR119NSD2RETEGFRALOX5AP
SCHEMBL28927858 0.80 RET (0.43) GPR119NSD2RET
SCHEMBL28927854 0.80 MAP4K1 (0.42) GPR119NSD2RETALOX5APFEN1
SCHEMBL28962175 0.78 KDM1A (0.45) KDM1A
SCHEMBL29929924 0.76 MAP3K7 (0.47) MAP3K7TAB1
SCHEMBL28962176 0.75 MAP4K1 (0.38) KDM1A
SCHEMBL28634046 0.73 MAP4K3 (0.59) MAP3K7TAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244050-B Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2024-06-21 CN disclosed
CN-115244050-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-10-25 CN disclosed