SCHEMBL29878089

SCHEMBL29878089

Cc1ccc2c(-c3ccc(Nc4cc5cc6n(c5cn4)CCN(C)C6=O)c4c3CN(C(=O)OC(C)(C)C)C4=O)cnn2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.36
PIK3CA P42336 3/20 0.35
PRKDC P78527 3/20 0.35
MTOR P42345 2/20 0.35
CCNA2 P20248 5/20 0.35
CDK2 P24941 5/20 0.35
AURKA O14965 4/20 0.34
RET P07949 1/20 0.31

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
SCHEMBL29878424 0.90 PIK3CA (0.34) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL29879004 0.85 PIK3CA (0.33) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL31484050 0.84 PIK3CA (0.34) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL28935767 0.84 PIK3CA (0.34) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL31484030 0.82 TTK (0.33) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL28935696 0.82 TTK (0.33) TTKPIK3CAPRKDCMTORCCNA2
SCHEMBL29878464 0.81 MAP4K1 (0.42)
SCHEMBL31484108 0.79
SCHEMBL30207745 0.79
SCHEMBL28935770 0.79

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-114940683-B HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2023-01-17 CN disclosed
CN-114940683-A HPK1 inhibitors and uses thereof 轩竹(北京)医药科技有限公司 2022-08-26 CN disclosed