SCHEMBL31455261

SCHEMBL31455261

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
PTPRB P23467 1/20 0.42
USP30 Q70CQ3 4/20 0.41
WNT3A P56704 1/20 0.40
P2RY14 Q15391 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.40
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HPGDS O60760 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 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
SCHEMBL18380160 0.88 PTPN2 (0.52) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL31420343 0.84 PRMT1 (0.41) NPC1RAB9AKMT2A
SCHEMBL31420375 0.84 NAMPT (0.51) PTPN2PTPN1PTPN6GPR119
SCHEMBL31455264 0.83 USP30 (0.39) PTPRBUSP30GPR119HPGDSCKS1B
SCHEMBL31455102 0.81 NAMPT (0.45) USP30GPR119HPGDS
SCHEMBL31420326 0.79 NAMPT (0.40) PTPRBUSP30GPR119HPGDS
SCHEMBL31455378 0.79 HPGDS (0.44) USP30GPR119HPGDS
SCHEMBL27225984 0.79 JAK2 (0.44) PTPRBCKS1BSKP1SKP2
SCHEMBL30802461 0.79 JAK2 (0.44) PTPRBCKS1BSKP1SKP2
SCHEMBL31455038 0.78 NPC1 (0.38) NPC1RAB9AABL1LMNAGPR119

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed