SCHEMBL29958243

SCHEMBL29958243

NC(=O)Cc1cnc2[nH]cc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.44
ITK Q08881 12/20 0.44
KLKB1 P03952 4/20 0.42
MAP4K1 Q92918 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
F2 P00734 1/20 0.39
METAP2 P50579 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
SCHEMBL27033870 1.00 BTK (0.44) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL29958524 0.87 BTK (0.44) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL27033831 0.87 BTK (0.44) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL29202566 0.82 BTK (0.41) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL29481417 0.80 PRMT5 (0.48) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL7443703 0.80 PRMT5 (0.48) BTKITKKLKB1MAP4K1PRMT5
SCHEMBL29958074 0.79 BTK (0.39) BTKITKKLKB1MAP4K1F2
SCHEMBL27033795 0.79 BTK (0.39) BTKITKKLKB1MAP4K1F2
Hydrochloric Acid SCHEMBL7213801 0.78 PRMT5 (0.47) BTKITKKLKB1MAP4K1PRMT5
Hydrochloric Acid SCHEMBL16881193 0.78 PRMT5 (0.47) BTKITKKLKB1MAP4K1PRMT5

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-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed