SCHEMBL26469110

SCHEMBL26469110

N#Cc1ccc(CNCO)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.41
EGLN1 Q9GZT9 5/20 0.41
NAMPT P43490 1/20 0.40
AR P10275 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
SLC8A1 P32418 1/20 0.35
GRM2 Q14416 2/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL26968221 0.84 CHEK1 (0.46) CHEK1EGLN1NAMPTARSLC40A1
SCHEMBL14873531 0.82 CHEK1 (0.39) CHEK1EGLN1NAMPTARSLC40A1
SCHEMBL26968171 0.81 CHEK1 (0.42) CHEK1EGLN1NAMPTAR
SCHEMBL6348729 0.80 LOXL2 (0.52) CHEK1EGLN1NAMPTAR
SCHEMBL7993913 0.80 CHEK1 (0.40) CHEK1EGLN1NAMPTSLC40A1SLC8A1
SCHEMBL7992498 0.80 CHEK1 (0.42) CHEK1EGLN1NAMPTSLC40A1
SCHEMBL453185 0.80 CHEK1 (0.44) CHEK1EGLN1NAMPTARGRM2
SCHEMBL6348726 0.79 CHEK1 (0.40) CHEK1EGLN1NAMPTARSLC40A1
SCHEMBL7999494 0.78 CHEK1 (0.38) CHEK1EGLN1NAMPTSLC40A1SLC8A1
SCHEMBL9840551 0.78 MC4R (0.44) CHEK1EGLN1NAMPTSLC40A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072257-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed