SCHEMBL31033009

SCHEMBL31033009

NC(=O)c1ccc2c(N)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
PDPK1 O15530 6/20 0.53
JAK2 O60674 3/20 0.53
ABL1 P00519 8/20 0.49
BCR P11274 8/20 0.49
MAP2K4 P45985 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
MAPKAPK5 Q8IW41 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL922195 0.86 PDPK1 (0.53) PDPK1JAK2ABL1BCRMAP2K4
SCHEMBL28258656 0.86 CHEK1 (0.53) CHEK1JAK2MAP2K4MAPK1MAPKAPK2
SCHEMBL19773425 0.84 CHEK1 (0.52) CHEK1JAK2MAP2K4MAPK1MAPKAPK2
SCHEMBL4404646 0.84 PDPK1 (0.51) PDPK1JAK2ABL1BCRJAK1
Hydrochloric Acid SCHEMBL17205412 0.84 PDPK1 (0.51) PDPK1JAK2ABL1BCRMAP2K4
SCHEMBL31173858 0.83 MAP2K4 (0.51) CHEK1JAK2ABL1BCRMAP2K4
SCHEMBL5051796 0.83 CHEK1 (0.54) CHEK1MAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL25139495 0.80 ABL1 (0.51) PDPK1JAK2ABL1BCRJAK1
SCHEMBL4404846 0.80 MAP2K4 (0.56) PDPK1JAK2ABL1BCRMAP2K4
SCHEMBL30159687 0.80 MAP2K4 (0.56) PDPK1JAK2ABL1BCRMAP2K4

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-2024178219-A1 1-ACYL-3-AMINOINDAZOLES FOR TREATING CYSTIC FIBROSIS SHOICHET BRIAN (US) 2024-08-29 WO disclosed