SCHEMBL13286149

SCHEMBL13286149

Cc1ccc(C[C@@H](CN(C(=O)OC(C)(C)C)c2ncc(Br)s2)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CYP3A4 P08684 6/20 0.34
PTPRB P23467 2/20 0.34
APP P05067 1/20 0.32
AKT1 P31749 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
SCHEMBL2550148 0.89 ATM (0.35) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL2550153 0.89 ATM (0.35) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL4298661 0.89 ATM (0.35) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL4303579 0.87 PPARG (0.39) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL2550327 0.87 ATM (0.38) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL4303581 0.87 PPARG (0.39) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL2550321 0.87 ATM (0.38) ATMAAK1CTSSCTSKCYP3A4
SCHEMBL12241479 0.86 USP30 (0.34) FPR3FPR2
SCHEMBL2550412 0.86 MLYCD (0.39) ATMAAK1FPR3FPR2CTSS
SCHEMBL1742109 0.85 ATM (0.37) ATMAAK1CTSSCTSKCYP3A4

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-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed