SCHEMBL28920192

SCHEMBL28920192

CCn1ncc2cc(N)cc(Br)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.48
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 3/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
KMO O15229 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
CSNK1A1 P48729 1/20 0.30
GSK3A P49840 1/20 0.30
LIMK1 P53667 1/20 0.30
IKBKE Q14164 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
SCHEMBL15910910 0.81 HASPIN (0.49) HASPINGAAMAPTMAPK1ADORA2A
SCHEMBL28920149 0.75 GAA (0.34) GAAMAPTMAPK1ADORA2AADORA2B
SCHEMBL28920240 0.74 RAB9A (0.44) HASPINMAPTLMNA
SCHEMBL27192250 0.74 HASPIN (0.44) HASPINMAPTTSHRLMNAMEN1
SCHEMBL31130304 0.72 GRM2 (0.44) HASPINMAPK1MEN1KMT2AKMO
SCHEMBL20604815 0.72 KDM4E (0.48) HASPINGAAMAPK1TSHRMEN1
SCHEMBL15910584 0.71 HASPIN (0.42) HASPINMAPK1ADORA2AADORA2BLMNA
SCHEMBL19762455 0.71 HASPIN (0.36) HASPINGAATSHRLMNAMEN1
SCHEMBL32681274 0.69 HASPIN (0.39) HASPINGSK3A
SCHEMBL213305 0.69 CHEK1 (0.53) HASPINGAAMAPTMAPK1MEN1

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-115490709-A KRASG12D inhibitor and application thereof in medicine 四川海思科制药有限公司 2022-12-20 CN disclosed