SCHEMBL21395078

SCHEMBL21395078

N#Cc1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.48
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GRM2 Q14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL21395011 0.92 GRM4 (0.43) CHEK1KCNQ3KCNQ2GRM2BACE1
SCHEMBL21394932 0.88 CHEK1 (0.42) CHEK1GRM2
SCHEMBL21394950 0.88 CHEK1 (0.49) CHEK1
SCHEMBL21395146 0.87 KCNQ3 (0.44) CHEK1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL21394713 0.87 NPC1 (0.44) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL21395031 0.87 CHEK1 (0.41) CHEK1NPC1RAB9AGRM2SMN1; SMN2
SCHEMBL21395025 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL21394997 0.85 KCNQ3 (0.57) CHEK1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL21395016 0.85 CHEK1 (0.40) CHEK1GRM2TMPRSS4SIRT2
SCHEMBL21395150 0.83 TMPRSS4 (0.43) CHEK1NPC1RAB9ATMPRSS4SIRT2

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