SCHEMBL21394932

SCHEMBL21394932

N#Cc1cnc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL21395016 0.94 CHEK1 (0.40) CHEK1GRM2
SCHEMBL21395031 0.94 CHEK1 (0.41) CHEK1GRM2
SCHEMBL21395078 0.88 CHEK1 (0.48) CHEK1GRM2
SCHEMBL21394947 0.86 JUN (0.43)
SCHEMBL21395011 0.86 GRM4 (0.43) CHEK1GRM2
SCHEMBL21395185 0.86 TMPRSS4 (0.49)
SCHEMBL21395002 0.85 TMPRSS4 (0.41)
SCHEMBL21394396 0.85 KCNQ3 (0.47) GRM2
SCHEMBL21395150 0.84 TMPRSS4 (0.43) CHEK1
SCHEMBL21394938 0.82 TMPRSS4 (0.47)

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