SCHEMBL13286159

SCHEMBL13286159

Cc1csc(N(C[C@H](Cc2ccc(C(F)(F)F)nc2)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 11/20 0.35
ATM Q13315 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN1 P18031 1/20 0.31
SCD O00767 1/20 0.31
PPARD Q03181 1/20 0.31
CYP3A4 P08684 1/20 0.31
TKT P29401 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
SCHEMBL2546500 0.91 PTPRB (0.34) PTPRBATMKCNQ3KCNQ2KCNQ4
SCHEMBL2549397 0.91 PTPRB (0.34) PTPRBATMKCNQ3KCNQ2KCNQ4
SCHEMBL2549301 0.88 PTPRB (0.33) PTPRBATM
SCHEMBL1743510 0.88 PTPRB (0.33) PTPRBATM
SCHEMBL2547638 0.84 ATM (0.36) PTPRBATMCYP3A4
SCHEMBL2547634 0.84 ATM (0.36) PTPRBATMCYP3A4
SCHEMBL2550153 0.84 ATM (0.35) PTPRBATMKCNQ3KCNQ2KCNQ4
SCHEMBL2550148 0.84 ATM (0.35) PTPRBATMKCNQ3KCNQ2KCNQ4
SCHEMBL4298661 0.84 ATM (0.35) PTPRBATMKCNQ3KCNQ2KCNQ4
SCHEMBL1744963 0.82 ATM (0.34) PTPRBATMCYP3A4

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