SCHEMBL467688

SCHEMBL467688

Nc1nc(N)n(-c2ccc(N3CCCC(N4CCCC4)C3)c(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
INSR P06213 1/20 0.35
KDR P35968 1/20 0.35
MAP4K4 O95819 1/20 0.35
HTR6 P50406 1/20 0.35
KDM1A O60341 3/20 0.35
PIK3CD O00329 1/20 0.34
CSF1R P07333 1/20 0.34
CDK4 P11802 1/20 0.34
CDK6 Q00534 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34

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
SCHEMBL467792 0.95 AXL (0.44) AXLADORA2AADORA1INSRKDR
SCHEMBL467833 0.92 AXL (0.47) AXLINSRKDRCSF1RCDK4
SCHEMBL467659 0.88 AXL (0.49) AXLINSRKDRCSF1RCDK4
SCHEMBL30090809 0.85 AXL (0.47) AXLINSRKDRHRH3
SCHEMBL27790975 0.85 AXL (0.47) AXLINSRKDRHRH3
SCHEMBL467580 0.82 AXL (0.36) AXLINSRKDRKDM1A
SCHEMBL28997487 0.79 AXL (0.35) AXLADORA2AADORA1KDM1A
SCHEMBL28997485 0.79 AXL (0.35) AXLADORA2AADORA1KDM1A
SCHEMBL467478 0.79 AXL (0.42) AXLINSRKDRKDM4EHTT
SCHEMBL467696 0.79 AXL (0.43) AXLINSRKDRCDK4

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
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed