SCHEMBL17857720

SCHEMBL17857720

N=C[C@@H]1C[C@@H]1COc1nc(C(=O)NC23CC(C2)C3)cc(N2CCC(c3n[nH]c4ncccc34)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AXL P30530 20/20 0.62

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
SCHEMBL17837535 0.88 AXL (0.79) AXL
SCHEMBL17857764 0.87 AXL (0.63) AXL
SCHEMBL17837392 0.85 AXL (0.64) AXL
SCHEMBL17837577 0.84 AXL (0.68) AXL
SCHEMBL17837969 0.82 AXL (0.79) AXL
SCHEMBL18625391 0.82 AXL (0.60) AXL
SCHEMBL17837953 0.82 AXL (0.54) AXL
SCHEMBL21254688 0.82 AXL (0.70) AXL
SCHEMBL18625398 0.79 AXL (0.53) AXL
SCHEMBL17837670 0.78 AXL (0.68) 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