SCHEMBL30225366

SCHEMBL30225366

O=C(O)CNc1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
CFTR P13569 8/20 0.45
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
PDE5A O76074 1/20 0.43
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM6B O15054 1/20 0.41
KDM6A O15550 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
CHRNA1 P02708 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL23976252 1.00 PDE4B (0.47) PDE4BCFTRTDP1ADORA3KMT2A
SCHEMBL30118572 0.86 NPC1 (0.44) PDE4BCFTRTDP1ADORA3KMT2A
SCHEMBL23976244 0.86 NPC1 (0.44) PDE4BCFTRTDP1ADORA3KMT2A
SCHEMBL25313496 0.85 CFTR (0.48) PDE4BCFTRHIF1AKDM4EKDM6B
SCHEMBL25917192 0.85 CFTR (0.43) PDE4BCFTRTDP1ADORA3KMT2A
SCHEMBL23976660 0.83 GAA (0.46) CFTRTDP1ADORA3KMT2ASMN1; SMN2
SCHEMBL30118845 0.83 GAA (0.46) CFTRTDP1ADORA3KMT2ASMN1; SMN2
SCHEMBL30118750 0.83 CFTR (0.45) PDE4BCFTRTDP1KMT2AHTT
SCHEMBL23976144 0.83 CFTR (0.45) PDE4BCFTRTDP1KMT2AHTT
SCHEMBL23986876 0.82 CFTR (0.42) PDE4BCFTRTDP1KMT2AHTT

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
EP-4142732-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed
EP-4143178-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 EP disclosed