SCHEMBL27768006

SCHEMBL27768006

CN1CCN(C2CCN(CCCc3ccc(-n4nc(N)nc4N)cn3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
ACVR1 Q04771 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SIGMAR1 Q99720 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
TLR9 Q9NR96 3/20 0.34
KDM4E B2RXH2 1/20 0.34
RAD52 P43351 1/20 0.34
MAPT P10636 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 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
SCHEMBL27919673 0.92 L3MBTL3 (0.45) L3MBTL1L3MBTL3HRH3SIGMAR1TLR7
SCHEMBL27901897 0.91 L3MBTL3 (0.44) L3MBTL1L3MBTL3HRH3SIGMAR1
SCHEMBL27789439 0.91 NOS3 (0.46) NOS3NOS1NOS2HRH3SIGMAR1
SCHEMBL27901891 0.83 HRH3 (0.41) NOS3NOS1NOS2HRH3SIGMAR1
SCHEMBL27789434 0.82 CYP1A2 (0.42) NOS3NOS1NOS2HRH3
SCHEMBL27767887 0.81 F12 (0.37) NOS3NOS1NOS2HRH3TLR7
SCHEMBL27901890 0.80 HRH3 (0.38) HRH3SIGMAR1TLR7
SCHEMBL27789440 0.80 SIGMAR1 (0.44) HRH3SIGMAR1TLR7
SCHEMBL28784755 0.80 ACVR1 (0.33) L3MBTL1ACVR1KDM4ERAD52MAPT
SCHEMBL27768013 0.80 ACVR1 (0.33) L3MBTL1ACVR1KDM4ERAD52MAPT

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 4 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-A N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 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
CN-101622248-A N3-heteroaryl substituted triazoles and N5-heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed