SCHEMBL23397289

SCHEMBL23397289

CCOc1c(F)cc2c(ccn2C(=O)OC(C)C)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ ECE1 P42892 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ABHD10 Q9NUJ1 1/20 0.31
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18052993 0.86 BCHE (0.33) ECE1BCHEHPGD
SCHEMBL18052958 0.84 NOTUM (0.38) ACACBTP53LMNAFFAR4HPGD
SCHEMBL20224080 0.83 ECE1 (0.31) GPR119ECE1BCHE
SCHEMBL23397291 0.81 PTGS2 (0.33) ACACBGPR119PTGS2BCHEPOLB
SCHEMBL18054201 0.78 CYP19A1 (0.37) LMNAFFAR4JMJD6
SCHEMBL18054137 0.77 PTGS2 (0.35) GPR119PTGS2LMNABRD4PTGS1
SCHEMBL20977762 0.77 ACACB (0.36) ACACBGPR119S1PR3PTGS2BCHE
SCHEMBL20224097 0.75 L3MBTL1 (0.34) POLBLMNAJMJD6
SCHEMBL20227221 0.74 NOTUM (0.38) S1PR3POLBTP53HPGDBRD4
SCHEMBL18052988 0.73 PTGER4 (0.35) ACACBFFAR4

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
EP-3261637-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2021-05-26 — — EP disclosed
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