SCHEMBL24928920

SCHEMBL24928920

COC(=O)c1cnc(Nc2ccc(C#N)nc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
PDGFRB P09619 3/20 0.42
KDR P35968 3/20 0.42
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
AR P10275 1/20 0.40
CHEK1 O14757 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29259946 0.95 POLB (0.43) MAPK1MAPTPOLBPTPN1KCNQ3
SCHEMBL30361455 0.86 MAPT (0.48) MAPK1MAPTPOLBPDGFRBKDR
SCHEMBL23675170 0.86 MAPT (0.48) MAPK1MAPTPOLBPDGFRBKDR
SCHEMBL29259667 0.82 MAPT (0.68) MAPK1MAPTPOLBPTPN1KCNQ3
SCHEMBL30361517 0.82 MAPT (0.68) MAPK1MAPTPOLBPTPN1KCNQ3
SCHEMBL23675260 0.82 MAPT (0.51) MAPK1MAPTPOLBPDGFRBKDR
SCHEMBL29996009 0.82 MAPT (0.51) MAPK1MAPTPOLBPDGFRBKDR
SCHEMBL30947685 0.81 HPGD (0.47) PTPN1KCNQ3KCNQ2JAK2JAK1
SCHEMBL13202023 0.80 MAPK1 (0.52) MAPK1MAPTPOLBPDGFRBKDR
SCHEMBL31717138 0.79 PDGFRB (0.56) MAPK1MAPTPOLBPDGFRBKDR

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-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed