SCHEMBL467579

SCHEMBL467579

Nc1nc(N)n(-c2ccc(C3NCC4CN(C5CCCC5)CC43)c(F)c2)n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27790985 0.84
SCHEMBL27769648 0.81
SCHEMBL27790983 0.80 AXL (0.38)
SCHEMBL467580 0.77 AXL (0.36)
SCHEMBL27790975 0.70 AXL (0.47)
SCHEMBL30090809 0.70 AXL (0.47)
SCHEMBL467659 0.66 AXL (0.49)
SCHEMBL467688 0.66 AXL (0.40)
SCHEMBL467833 0.66 AXL (0.47)
SCHEMBL27791062 0.66 CHRNB2 (0.32)

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