SCHEMBL21974404

SCHEMBL21974404

N#CCC(N)c1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.67
ENPEP Q07075 2/20 0.67
GRM4 Q14833 1/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA6 P23280 1/20 0.41
FOLH1 Q04609 1/20 0.40
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CASR P41180 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL171155 0.81 ANPEP (0.50) ANPEPENPEPCA1CA2CA9
SCHEMBL26547500 0.80 ANPEP (0.75) ANPEPENPEPGRM4CA1CA2
SCHEMBL9918246 0.79 ANPEP (0.48) ANPEPENPEPCA1CA2CA9
SCHEMBL7573702 0.79 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL7616448 0.79 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL7612693 0.79 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL321516 0.79 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL19592425 0.78 ANPEP (0.47) ANPEPENPEPGRM4CA1CA2
SCHEMBL22690103 0.78 ANPEP (0.71) ANPEPENPEPGRM4CA1CA2
SCHEMBL22691505 0.78 ANPEP (0.71) ANPEPENPEPGRM4CA1CA2

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-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed