SCHEMBL29655525

SCHEMBL29655525

COC(=O)C1Cc2ccccc2CN1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
JAK2 O60674 1/20 0.45
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
MMP9 P14780 6/20 0.42
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
ADAM17 P78536 3/20 0.42
ADAM9 Q13443 3/20 0.42
NR1D1 P20393 1/20 0.41
ACE P12821 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
POLB P06746 2/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL28611516 1.00 CHEK1 (0.45) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL29177033 0.84 CHEK1 (0.47) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL12992250 0.83 CHEK1 (0.46) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL13545530 0.83 CHEK1 (0.46) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL21700187 0.82 NOTUM (0.47) CHEK1JAK2MMP3ACEPOLB
SCHEMBL12878828 0.81 CHEK1 (0.45) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL15704266 0.81 CHEK1 (0.48) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL15704265 0.81 CHEK1 (0.48) CHEK1JAK2MMP2ANPEPMMP9
SCHEMBL11395371 0.80 NR1D1 (0.48) CHEK1JAK2MMP2ANPEPNR1D1
SCHEMBL11395379 0.80 NR1D1 (0.48) CHEK1JAK2MMP2ANPEPNR1D1

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
CN-112979647-B Azaindole derivative containing azaamino acid, preparation and application 浙江大学 2022-05-20 CN disclosed