SCHEMBL23994567

SCHEMBL23994567

O=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ IP6K1 Q92551 4/20 0.35
▸ NT5E P21589 6/20 0.34
▸ ROCK2 O75116 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ CDC42BPB Q9Y5S2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL23993814 0.87 NT5E (0.35) MAPTKDM4CNT5E
SCHEMBL23993071 0.87 NT5E (0.33) NT5E
SCHEMBL25004807 0.87 NT5E (0.34) MAPTKDM4CNT5E
SCHEMBL23993286 0.86 JAK2 (0.33) MAPTKDM4CNT5E
SCHEMBL28947404 0.84 NT5E (0.32) NT5E
SCHEMBL23994859 0.84 NT5E (0.32) NT5E
SCHEMBL23995011 0.83 NT5E (0.36) NT5E
SCHEMBL23993714 0.81 NT5E (0.32) NT5E
SCHEMBL23993340 0.81 NT5E (0.38) NT5E
SCHEMBL23994621 0.81 NT5E (0.38) NT5E

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-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
Send feedback