SCHEMBL30014971

SCHEMBL30014971

CCOc1cc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MTOR P42345 1/20 0.41
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
TSHR P16473 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 2/20 0.36
SRC P12931 1/20 0.36
CAMKK1 Q8N5S9 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
PGR P06401 2/20 0.36
NR3C2 P08235 2/20 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
SCHEMBL24698959 1.00 MKNK1 (0.42) MKNK1MKNK2MTORPDK1PDK2
SCHEMBL24699484 0.90 PDE7A (0.41) MKNK1MKNK2MTORPDK1PDK2
SCHEMBL30015689 0.90 PDE7A (0.41) MKNK1MKNK2MTORPDK1PDK2
SCHEMBL24698964 0.87 MKNK1 (0.44) MKNK1MKNK2PDK1PDK2PDK3
SCHEMBL30015877 0.84 PDK1 (0.40) MKNK1MKNK2MTORPDK1PDK2
SCHEMBL30016341 0.84 MTOR (0.44) MTORPDK1PDK2PDK3PDK4
SCHEMBL24699474 0.84 MTOR (0.44) MTORPDK1PDK2PDK3PDK4
SCHEMBL24699461 0.84 PDK1 (0.40) MKNK1MKNK2MTORPDK1PDK2
SCHEMBL24699353 0.84 PDK1 (0.39) MTORPDK1PDK2PDK3PDK4
SCHEMBL30015382 0.84 PDK1 (0.39) MTORPDK1PDK2PDK3PDK4

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
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed