SCHEMBL4794362

SCHEMBL4794362

Fc1ccc(CNc2nc(NC(F)C(F)F)c3cc(Br)ccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.44
USP10 Q14694 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
USP13 Q92995 1/20 0.43
GRK6 P43250 2/20 0.43
APP P05067 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTNNB1 P35222 3/20 0.41
TCF7L2 Q9NQB0 3/20 0.41
KCNH3 Q9ULD8 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4351514 0.80 CTNNB1 (0.46) NTRK1USP10PIK3C3USP13GRK6
SCHEMBL3337810 0.79 APP (0.47) NTRK1USP10PIK3C3USP13GRK6
SCHEMBL3336024 0.77 EGFR (0.48) NTRK1USP10PIK3C3USP13GRK6
SCHEMBL3340735 0.71 PDE5A (0.43) NTRK1USP10PIK3C3USP13APP
SCHEMBL21055798 0.71 LMNA (0.59) NTRK1APPLMNAHTTSMN1; SMN2
SCHEMBL2591004 0.71 RAD52 (0.68) USP10PIK3C3USP13APPLMNA
SCHEMBL3334087 0.68 NTRK1 (0.41) NTRK1USP10PIK3C3USP13APP
SCHEMBL3334084 0.68 NTRK1 (0.41) NTRK1USP10PIK3C3USP13APP
SCHEMBL4357491 0.68 NTRK1 (0.47) NTRK1USP10PIK3C3USP13GRK6
SCHEMBL2590855 0.68 RAD52 (0.82) NTRK1APPLMNACTNNB1TCF7L2

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-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed