SCHEMBL28634433

SCHEMBL28634433

CCn1nc(N)c(Br)c1C#N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.30
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL6187921 0.79 MAPT (0.41)
SCHEMBL6025891 0.79 MAPK1 (0.36)
SCHEMBL28642187 0.75 LMNA (0.33) IKBKBMAP3K14
SCHEMBL11545681 0.69 TSHR (0.41)
SCHEMBL16654865 0.67 TSHR (0.40)
SCHEMBL31613005 0.67 PTGS2 (0.35) IKBKBMAP3K14
SCHEMBL5277792 0.65 GRM2 (0.36)
SCHEMBL23208824 0.65 PTPN11 (0.33)
SCHEMBL31319649 0.64 CYP11B2 (0.42)
SCHEMBL16911057 0.64

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
CN-110357905-B Macrocyclic derivatives as protein kinase inhibitors, and preparation method and application thereof 武汉誉祥医药科技有限公司 2021-10-01 CN disclosed
CN-110357905-A Big ring analog derivative and its preparation method and application as kinases inhibitor 武汉宇科源医药生物科技有限公司 2019-10-22 CN disclosed