SCHEMBL22103866

SCHEMBL22103866

CCN(C)C(=O)CNC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccc4c3OCCC4)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ CASP7 P55210 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE2A O00408 1/20 0.34

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
SCHEMBL22092672 0.89 TYK2 (0.47) TYK2STAT3POLBMAPTKDM4E
SCHEMBL22092677 0.89 TYK2 (0.44) TYK2STAT3POLBMAPTKDM4E
SCHEMBL22092695 0.83 TYK2 (0.69) TYK2STAT3
SCHEMBL22103745 0.83 TYK2 (0.63) TYK2STAT3JAK1
SCHEMBL30378401 0.75 TYK2 (0.53) TYK2STAT3POLBMAPTKDM4E
SCHEMBL30378065 0.75 TYK2 (0.50) TYK2STAT3POLBMAPTKDM4E
SCHEMBL23327482 0.75 HRAS (0.36) TYK2STAT3MAPTKDM4EHTT
SCHEMBL23327588 0.74 TYK2 (0.37) TYK2STAT3MAPTKDM4ETSHR
SCHEMBL28641307 0.73 TYK2 (0.71) TYK2STAT3
SCHEMBL21887378 0.73 KCNH2 (0.44) TYK2STAT3POLBMAPTKDM4E

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-3894412-B1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES LILLY CO ELI (US) 2023-02-08 — — EP disclosed
WO-2020123225-A1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2020-06-18 — — WO disclosed
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