SCHEMBL17857772

SCHEMBL17857772

CC1CC(NC(=O)c2nc(OCOC#N)nc(N3CCC(COc4cc(-c5cn(C)nn5)cnc4N)CC3)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AXL P30530 20/20 0.66

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
SCHEMBL21254771 0.80 AXL (0.77) AXL
SCHEMBL17857768 0.80 AXL (0.80) AXL
SCHEMBL18625747 0.79 AXL (0.84) AXL
SCHEMBL17837856 0.79 AXL (1.00) AXL
SCHEMBL17837576 0.78 AXL (1.00) AXL
SCHEMBL17857770 0.77 AXL (0.77) AXL
SCHEMBL17837409 0.76 AXL (0.83) AXL
SCHEMBL18625296 0.75 AXL (0.61) AXL
SCHEMBL17861741 0.75 AXL (1.00) AXL
SCHEMBL17837376 0.74 AXL (1.00) AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed