SCHEMBL15933586

SCHEMBL15933586

CC(C)(C)OC(=O)N1CCn2cc(-c3ccc(C#N)nc3)nc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
RET P07949 12/20 0.46
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL15933695 0.87 EGLN2 (0.48) GPR119RETJAK2JAK1EGLN2
SCHEMBL25431198 0.83 GPR119 (0.45) GPR119EGLN2NR1H2
SCHEMBL15933677 0.81 GPR119 (0.53) GPR119RETJAK2JAK1EGLN2
SCHEMBL15933636 0.81 P2RX7 (0.43) GPR119RETEGLN2
SCHEMBL17298980 0.81 F2RL1 (0.45)
SCHEMBL16836256 0.81 RET (0.42) GPR119RET
SCHEMBL31098398 0.81 RET (0.42) GPR119RET
SCHEMBL4399124 0.80 GPR119 (0.46) GPR119NR1H2
SCHEMBL15933469 0.80 GPR119 (0.43) GPR119NR1H2
SCHEMBL15933682 0.79 GBA1 (0.52) GPR119NR1H2

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