SCHEMBL5147345

SCHEMBL5147345

COc1ccc2cc(-c3nc(NCCN4C(=O)NC(C)(C)C4=O)ncc3C(F)(F)F)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
PLA2G7 Q13093 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
NR1H2 P55055 3/20 0.33
MAPT P10636 1/20 0.33
NR1H3 Q13133 1/20 0.32
LIMK1 P53667 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5147311 0.94 LMNA (0.37) LMNAHTTUSP2PLA2G7AR
SCHEMBL2976150 0.88 LIMK1 (0.33) USP2ALDH1A1LIMK1TSHR
SCHEMBL5147498 0.88 ALDH1A1 (0.36) LMNAHTTPLA2G7ALDH1A1MAPK1
SCHEMBL5148410 0.84 LMNA (0.39) LMNAHTTUSP2PLA2G7AR
SCHEMBL5146010 0.83 POLB (0.35) LMNAHTTUSP2ARALDH1A1
SCHEMBL5148335 0.82 PDE3B (0.36) LMNAHTTPLA2G7ALDH1A1MAPK1
SCHEMBL2971724 0.82 PDE3B (0.35) USP2ALDH1A1LIMK1
SCHEMBL5147280 0.77 BRAF (0.37) LMNAHTTALDH1A1MAPK1TSHR
SCHEMBL2988460 0.76 PDE3B (0.32) USP2ALDH1A1TSHR
SCHEMBL5147380 0.76 ALDH1A1 (0.40) LMNAHTTALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed