SCHEMBL28920148

SCHEMBL28920148

N#Cc1cc(N)cc(Br)c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ADRB2 P07550 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HPGD P15428 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
SCHEMBL23174552 0.77 GAA (0.39) MAPTGAA
SCHEMBL10119242 0.74 MAPT (0.56) MAPTGAAADRB2KDM4EALDH1A1
SCHEMBL31243002 0.73 CYP3A4 (0.39) MAPTGAAALDH1A1HTT
SCHEMBL28906398 0.73 CYP3A4 (0.39) MAPTGAAALDH1A1HTT
SCHEMBL28920164 0.71 MAPT (0.41) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL30084929 0.71 MAPT (0.41) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL15769819 0.68 KDM4E (0.46) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL14744326 0.67 KHK (0.39) MAPTGAAKDM4EALDH1A1USP2
SCHEMBL30319931 0.67 KDM4E (0.40) MAPTGAAADRB2KDM4EALDH1A1
SCHEMBL20680925 0.66 ADRB2 (0.31) ADRB2ADORA2AADORA1

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