SCHEMBL3365805

SCHEMBL3365805

Cc1cccc(C)c1-c1cncc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
IRAK4 Q9NWZ3 5/20 0.44
MAP4K4 O95819 6/20 0.43
DYRK1B Q9Y463 2/20 0.42
DYRK1A Q13627 1/20 0.41
SRC P12931 2/20 0.41
KDR P35968 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM1A O60341 1/20 0.37
CYP2A6 P11509 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
SCHEMBL21476134 0.82 CYP2A6 (0.50) SRCCYP11B1CYP11B2CYP2A6
SCHEMBL3399384 0.81 LCK (0.46) IRAK4DYRK1BDYRK1AKDR
SCHEMBL21363954 0.78 CYP2A6 (0.39) MKNK1MKNK2SRCCYP2A6
SCHEMBL11653455 0.78 MAP4K4 (0.54) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL25221500 0.78 CYP11B1 (0.49) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL30549060 0.78 CYP11B1 (0.49) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL12577749 0.74 CYP2A6 (0.54) MKNK1MKNK2DYRK1ACYP11B1CYP11B2
SCHEMBL12577677 0.74 BRD4 (0.42) SRCCYP2A6
SCHEMBL16431919 0.74 MAP4K4 (0.56) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL30337602 0.73 CYP11B1 (0.55) MEN1PSIP1AXLMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed