SCHEMBL5850542

SCHEMBL5850542

CC(C)(C)OC(=O)N1CCN(c2ncnc3sc(Br)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.54
MEN1 O00255 7/20 0.52
P2RY12 Q9H244 6/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 2/20 0.44
MAP4K4 O95819 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
GBA1 P04062 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5851682 0.88 KIT (0.55) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5851315 0.87 KIT (0.54) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5848798 0.87 KIT (0.57) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5849579 0.86 KIT (0.53) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5850552 0.85 P2RY12 (0.68) MEN1P2RY12ALDH1A1KDM4EMAPT
SCHEMBL5849376 0.84 KIT (0.52) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5849530 0.84 KIT (0.52) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL15504666 0.83 KIT (0.54) KITMEN1KMT2AMAP4K4GBA1
SCHEMBL5848640 0.83 KIT (0.51) KITMEN1P2RY12ALDH1A1KDM4E
SCHEMBL5851715 0.83 MAPT (0.57) KITMEN1P2RY12ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118632843-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-09-10 CN disclosed
WO-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed