SCHEMBL28784752

SCHEMBL28784752

CN1CCC2CN(c3ccc(-n4nc(N)nc4N)cc3F)CC21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
AXL P30530 5/20 0.33
KDR P35968 2/20 0.32
MAOB P27338 1/20 0.31
CHRNA7 P36544 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
INSR P06213 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL467601 0.83 FLT3 (0.36) AXLKDRINSRALDH1A1LMNA
SCHEMBL467580 0.79 AXL (0.36) AXLKDRINSR
SCHEMBL18009413 0.79 ALDH1A1 (0.46) AXLALDH1A1LMNAMAPTMAPK1
SCHEMBL467696 0.78 AXL (0.43) AXLKDRINSRALDH1A1
SCHEMBL467792 0.77 AXL (0.44) HRH3AXLKDRINSR
SCHEMBL467659 0.76 AXL (0.49) HRH3AXLKDRINSRALDH1A1
SCHEMBL467478 0.76 AXL (0.42) AXLKDRINSRALDH1A1MAPT
SCHEMBL16271154 0.75 AXL (0.41) AXLKDR
SCHEMBL16271153 0.75 AXL (0.41) AXLKDR
SCHEMBL16271152 0.75 AXL (0.41) AXLKDR

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-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN claimed
CN-101622246-A Polycyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC 2010-01-06 CN disclosed