SCHEMBL20977771

SCHEMBL20977771

COC(=O)n1ccc2c(F)c(OC(C)C)cc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 6/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ ULK1 O75385 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DHODH Q02127 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LPO P22079 2/20 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
SCHEMBL20977760 0.88 ALDH1A1 (0.36) IDO1TDO2ALDH1A1NPC1LMNA
SCHEMBL18054178 0.83 PTGDR2 (0.35) LMNARAB9AHPGD
SCHEMBL20224091 0.82 ACLY (0.35) LPO
SCHEMBL20977762 0.78 ACACB (0.36) LMNAKDM4E
SCHEMBL20224083 0.78 BCHE (0.32) —
SCHEMBL20442993 0.77 NOTUM (0.31) —
SCHEMBL18054261 0.75 TNF (0.37) ALDH1A1LMNAKDM4ELPO
SCHEMBL18052987 0.74 MAPK1 (0.36) LMNARAB9A
SCHEMBL20227289 0.72 KDM4E (0.38) ALDH1A1KDM4E
SCHEMBL18052994 0.72 LRRK2 (0.36) BRPF1ALDH1A1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 — — EP disclosed
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