SCHEMBL24699459

SCHEMBL24699459

NC(=O)c1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
EEF2K O00418 1/20 0.38
CDC7 O00311 2/20 0.37
CDK9 P50750 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL24698162 0.89 EEF2K (0.38) GBA1MKNK1MKNK2EEF2KPIK3CA
SCHEMBL24699476 0.87 GBA1 (0.39) GBA1CDC7CDK9PIK3CAPIK3CD
SCHEMBL24699356 0.86 GBA1 (0.47) GBA1CDC7CDK9KDM4EALDH1A1
SCHEMBL30015877 0.85 PDK1 (0.40) MKNK1MKNK2EEF2KPIK3CAPIK3CD
SCHEMBL24699461 0.85 PDK1 (0.40) MKNK1MKNK2EEF2KPIK3CAPIK3CD
SCHEMBL24698767 0.84 GBA1 (0.38) GBA1CDC7CDK9KDM4EALDH1A1
SCHEMBL24699485 0.84 KDM4E (0.42) GBA1MKNK1MKNK2KDM4EALDH1A1
SCHEMBL24698163 0.82 PDK2 (0.36) MKNK1MKNK2EEF2KPIK3CAPIK3CD
SCHEMBL30016283 0.82 PDK2 (0.36) MKNK1MKNK2EEF2KPIK3CAPIK3CD
SCHEMBL24699054 0.82 GBA1 (0.38) GBA1CDC7CDK9PIK3CAPIK3CD

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed