SCHEMBL27768013

SCHEMBL27768013

CN1CCN(C2CCN(CC=Cc3ccc(-n4nc(N)nc4N)cn3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 6/20 0.33
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR4 P46093 6/20 0.33
MAPT P10636 1/20 0.32
GRIN2B Q13224 3/20 0.32
CTSK P43235 1/20 0.31

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
SCHEMBL28784755 1.00 ACVR1 (0.33) ACVR1KDM4ERAD52L3MBTL1GPR4
SCHEMBL28823410 0.91 GPR4 (0.37) L3MBTL1GPR4GRIN2BCTSK
SCHEMBL27919676 0.91 GPR4 (0.37) L3MBTL1GPR4GRIN2BCTSK
SCHEMBL27789441 0.91 MAPT (0.37) KDM4EMAPT
SCHEMBL27901899 0.90 GPR4 (0.39) L3MBTL1GPR4GRIN2BCTSK
SCHEMBL22189937 0.90 GPR4 (0.39) L3MBTL1GPR4GRIN2BCTSK
SCHEMBL467811 0.83 GRIN2B (0.33) KDM4EGRIN2B
SCHEMBL467810 0.83 GRIN2B (0.33) KDM4EGRIN2B
SCHEMBL27901893 0.82 LTA4H (0.34) KDM4EGRIN2B
SCHEMBL28039255 0.81 APP (0.34) KDM4EMAPTGRIN2B

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