SCHEMBL15933677

SCHEMBL15933677

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(C#N)nc3)nc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
RET P07949 4/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL15933535 0.86 GPR119 (0.49) GPR119JAK2JAK1EGLN2
SCHEMBL15933477 0.85 HDAC4 (0.40) GPR119JAK2JAK1NR1H2CKS1B
SCHEMBL15933586 0.81 GPR119 (0.52) GPR119JAK2JAK1NR1H2NR1H3
SCHEMBL15933683 0.81 GPR119 (0.52) GPR119BRD4CREBBPEGLN2
SCHEMBL20140942 0.80 CKS1B (0.49) GPR119JAK2CKS1BSKP1SKP2
SCHEMBL24689592 0.79 PDE10A (0.42) GPR119NR1H2
SCHEMBL15933643 0.79 GPR119 (0.45) GPR119NR1H2CKS1BSKP1SKP2
SCHEMBL15933697 0.79 GPR119 (0.47) GPR119NR1H2CKS1BSKP1SKP2
SCHEMBL31612680 0.79 HDAC4 (0.48) GPR119
SCHEMBL24689567 0.78 NR1H2 (0.43) 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