SCHEMBL18482559

SCHEMBL18482559

CC(C)(C)C(N)C1Nc2cc(F)c(-c3ccc(-c4cc5nc([C@@H](N)C(C)(C)C)[nH]c5cc4F)cc3)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 8/20 0.46
▸ SCN10A Q9Y5Y9 9/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SCD O00767 1/20 0.31

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
SCHEMBL18483091 0.86 AAK1 (0.41) AAK1SCN10A
SCHEMBL18483092 0.77 AAK1 (0.50) AAK1SCN10A
SCHEMBL20468377 0.77 AAK1 (0.50) AAK1SCN10A
SCHEMBL15116794 0.68 AAK1 (0.57) AAK1SCN10A
SCHEMBL19388413 0.68 AAK1 (0.57) AAK1SCN10A
SCHEMBL13911523 0.67 ALPL (0.45) AAK1SCN10AKDM4ELMNAHSD17B10
SCHEMBL15125224 0.64 AAK1 (0.54) AAK1SCN10A
SCHEMBL20468303 0.64 AAK1 (0.47) AAK1SCN10A
SCHEMBL17516020 0.63 AAK1 (1.00) AAK1
SCHEMBL15311667 0.62 SCN10A (0.56) SCN10AKDM4ELMNAHSD17B10

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-2017023631-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 — — WO disclosed
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