SCHEMBL28645666

SCHEMBL28645666

Cc1cccc(F)c1-c1cc2c(-c3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)s3)cnc(N)c2cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
ALOX5AP P20292 5/20 0.40
FEN1 P39748 5/20 0.40
NSD2 O96028 1/20 0.39
RET P07949 1/20 0.38
TP53 P04637 1/20 0.37
EGFR P00533 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
SCHEMBL28927877 0.90 MAP4K1 (0.36)
SCHEMBL28927875 0.83 GPR119 (0.39) GPR119ALOX5APFEN1NSD2RET
SCHEMBL28636439 0.83 MAP3K7 (0.51) RET
SCHEMBL28638645 0.82 MAP4K3 (0.39)
SCHEMBL28927868 0.81 GPR119 (0.38) GPR119ALOX5APFEN1NSD2RET
SCHEMBL28927858 0.80 RET (0.43) GPR119NSD2RET
SCHEMBL28927854 0.80 MAP4K1 (0.42) GPR119ALOX5APFEN1NSD2RET
SCHEMBL163981 0.70 GPR119 (0.47) GPR119ALOX5APFEN1
SCHEMBL17151815 0.70 POLB (0.49) GPR119ALOX5APFEN1TP53
SCHEMBL11946811 0.70 TP53 (0.40) ALOX5APFEN1TP53

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 3 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
CN-113336747-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2021-09-03 CN disclosed