SCHEMBL15933469

SCHEMBL15933469

CC(C)(C)OC(=O)N1CCn2cc(-c3cncnc3)nc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
P2RX7 Q99572 2/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
GBA1 P04062 1/20 0.38
NR1H2 P55055 2/20 0.37
MAPT P10636 2/20 0.37
KIT P10721 1/20 0.37
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL15933682 0.88 GBA1 (0.52) GPR119P2RX7CKS1BSKP1SKP2
SCHEMBL4399124 0.86 GPR119 (0.46) GPR119HTTATMP2RX7NR1H2
SCHEMBL17298980 0.83 F2RL1 (0.45) P2RX7
SCHEMBL15933695 0.80 EGLN2 (0.48) GPR119HTTATMP2RX7
SCHEMBL15933586 0.80 GPR119 (0.52) GPR119NR1H2
SCHEMBL2813207 0.78 SMARCA2 (0.53) GPR119HTTATMP2RX7CKS1B
SCHEMBL15933470 0.78 NR1H2 (0.41) HTTATMCKS1BSKP1SKP2
SCHEMBL23390025 0.77 GRM5 (0.44) GPR119HTTATMP2RX7CKS1B
SCHEMBL29796413 0.77 GRM5 (0.44) GPR119HTTATMP2RX7CKS1B
SCHEMBL15933636 0.77 P2RX7 (0.43) GPR119P2RX7CKS1BSKP1SKP2

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-2014117318-A1 NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-08-07 WO disclosed