SCHEMBL28504263

SCHEMBL28504263

NCc1ccc(-c2cncc(Br)c2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 9/20 0.55
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CYP2A6 P11509 3/20 0.37
NSD2 O96028 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.34
LOX P28300 1/20 0.34
LOXL3 P58215 1/20 0.34
PTK2 Q05397 1/20 0.33

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
SCHEMBL5888962 0.80 CYP2A6 (0.40) CYP2A6PTK2
SCHEMBL5110030 0.79 AHR (0.48) CYP2A6PTK2
SCHEMBL3666921 0.77 CYP2A6 (0.53) CYP2A6LOXL2PTK2
SCHEMBL9413208 0.75 CSNK2A1 (0.46) CSNK2A1
SCHEMBL4771 0.74 CYP2A6 (0.47) CYP2A6PTK2
SCHEMBL3669814 0.73 CDK8 (0.48) CYP2A6LOXL2
SCHEMBL30803440 0.72 CSNK2A1 (1.00) CSNK2A1CSNK2A2CSNK2BCSNK2A3CYP2A6
SCHEMBL28511962 0.72 CSNK2A1 (0.44) CSNK2A1CSNK2A2CSNK2BCSNK2A3NSD2
SCHEMBL21201466 0.72 ADH5 (0.52)
SCHEMBL21201361 0.70 DHODH (0.48)

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-112243374-A SREBP inhibitors comprising a 6-membered central ring 卡普勒斯疗法有限责任公司 2021-01-19 CN disclosed