SCHEMBL21394950

SCHEMBL21394950

COc1cc(Cc2ccc(NC(=O)c3cnc(C#N)cn3)nc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.49

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
SCHEMBL21394955 0.88 RAB9A (0.44)
SCHEMBL21395078 0.88 CHEK1 (0.48) CHEK1
SCHEMBL21395011 0.86 GRM4 (0.43) CHEK1
SCHEMBL21394932 0.83 CHEK1 (0.42) CHEK1
SCHEMBL21395031 0.82 CHEK1 (0.41) CHEK1
SCHEMBL21395016 0.80 CHEK1 (0.40) CHEK1
SCHEMBL21395150 0.79 TMPRSS4 (0.43) CHEK1
SCHEMBL21395192 0.78 L3MBTL1 (0.43)
SCHEMBL21395146 0.76 KCNQ3 (0.44) CHEK1
SCHEMBL21394713 0.75 NPC1 (0.44)

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed