SCHEMBL31455703

SCHEMBL31455703

CC(C)(C)c1ccc2nc(-c3cccnc3N)n(-c3ccc(NC(=O)c4ccc(C(=O)O)cc4)nc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.48
AKT2 P31751 10/20 0.47
AKT3 Q9Y243 7/20 0.47
DEGS1 O15121 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL31455682 0.92 AKT1 (0.46) AKT1AKT2AKT3DEGS1JAK2
SCHEMBL31455860 0.88 AKT1 (0.47) AKT1AKT2AKT3DEGS1
SCHEMBL31455914 0.87 AKT1 (0.48) AKT1AKT2AKT3
SCHEMBL31455633 0.86 AKT1 (0.46) AKT1AKT2AKT3
SCHEMBL31454982 0.85 AKT1 (0.45) AKT1AKT2AKT3
SCHEMBL31455334 0.82 AKT1 (0.44) AKT1AKT2AKT3
SCHEMBL31455906 0.81 AKT1 (0.43) AKT1AKT2AKT3
SCHEMBL31455567 0.80 AKT1 (0.44) AKT1AKT2AKT3DEGS1
SCHEMBL31455657 0.80 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL31455131 0.78 AKT1 (0.65) AKT1AKT2AKT3

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed