SCHEMBL27901899

SCHEMBL27901899

Nc1nc(N)n(-c2ccc(C=CCN3CCC(N4CCCCC4)CC3)nc2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.39
CTSK P43235 1/20 0.37
L3MBTL3 Q96JM7 5/20 0.33
L3MBTL1 Q9Y468 5/20 0.33
HRH3 Q9Y5N1 4/20 0.32
GRIN2B Q13224 2/20 0.32

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
SCHEMBL22189937 1.00 GPR4 (0.39) GPR4CTSKL3MBTL3L3MBTL1HRH3
SCHEMBL28823410 0.99 GPR4 (0.37) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL27919676 0.99 GPR4 (0.37) GPR4CTSKL3MBTL3L3MBTL1GRIN2B
SCHEMBL28784755 0.90 ACVR1 (0.33) GPR4CTSKL3MBTL1GRIN2B
SCHEMBL27768013 0.90 ACVR1 (0.33) GPR4CTSKL3MBTL1GRIN2B
SCHEMBL27789436 0.90 APP (0.34) HRH3GRIN2B
SCHEMBL28039255 0.90 APP (0.34) HRH3GRIN2B
SCHEMBL27901893 0.88 LTA4H (0.34) HRH3GRIN2B
SCHEMBL467878 0.87 GPR4 (0.46) GPR4CTSKL3MBTL3L3MBTL1HRH3
SCHEMBL467638 0.85 GPR4 (0.44) GPR4CTSKL3MBTL3L3MBTL1GRIN2B

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
CN-101622248-B N3-heteroaryl substituted triazoles and n5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2013-04-17 CN claimed
CN-101622248-B N3-heteroaryl substituted triazoles and n5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2013-04-17 CN disclosed