SCHEMBL27769731

SCHEMBL27769731

CC1CNCCN1C1CCN(c2ccc(-n3nc(N)nc3N)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.35
CHIT1 Q13231 2/20 0.34
CHIA Q9BZP6 2/20 0.34
AXL P30530 3/20 0.34
HRH3 Q9Y5N1 2/20 0.32
RORC P51449 2/20 0.31
KHK P50053 3/20 0.31
GAA P10253 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
INSR P06213 1/20 0.30
KDR P35968 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
SCHEMBL467478 0.80 AXL (0.42) AXLGAAINSRKDR
SCHEMBL467659 0.79 AXL (0.49) AXLHRH3INSRKDR
SCHEMBL467696 0.78 AXL (0.43) AXLINSRKDR
SCHEMBL467601 0.77 FLT3 (0.36) AXLGAAINSRKDR
SCHEMBL467833 0.76 AXL (0.47) AXLHRH3INSRKDR
SCHEMBL27769653 0.76 AXL (0.42) AXLHRH3INSRKDR
SCHEMBL467749 0.76 AXL (0.40) AXLINSRKDR
SCHEMBL467792 0.75 AXL (0.44) AXLHRH3KHKINSRKDR
SCHEMBL18009413 0.75 ALDH1A1 (0.46) RAD52AXLGAA
SCHEMBL467537 0.74 CHIT1 (0.36) CHIT1CHIAAXLGAA

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