SCHEMBL31420366

SCHEMBL31420366

O=C(O)c1ccc(-n2nc(C(F)(F)F)cc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.58
KLKB1 P03952 2/20 0.48
PTGS1 P23219 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ORAI1 Q96D31 1/20 0.46
MAPT P10636 1/20 0.46
PDPK1 O15530 1/20 0.45
CRACR2A Q9BSW2 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL21879588 0.85 KLKB1 (0.62) PTGS2KLKB1PTGS1MAPTCYP2C9
SCHEMBL31420334 0.85 KLKB1 (0.62) PTGS2KLKB1PTGS1MAPTCYP2C9
SCHEMBL537395 0.84 PTGS1 (0.65) PTGS2KLKB1PTGS1MAPTPDPK1
SCHEMBL25249559 0.84 PTGS2 (0.57) PTGS2KLKB1PTGS1HDAC3HDAC4
SCHEMBL4053403 0.84 PTGS2 (0.60) PTGS2KLKB1PTGS1HDAC3HDAC4
SCHEMBL4247328 0.83 PTGS2 (0.74) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL25251421 0.83 THRB (0.48) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL7330567 0.82 PTGS1 (0.63) PTGS2KLKB1PTGS1MAPTPDPK1
SCHEMBL538151 0.81 PTGS2 (0.51) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL31255079 0.80 PTGS2 (0.54) PTGS2KLKB1PTGS1HDAC3HDAC4

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-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed