SCHEMBL29237103

SCHEMBL29237103

COC(=O)c1cc(Br)cn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
CAMK2D Q13557 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NQO2 P16083 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL28699281 0.93 CAMK2D (0.45) DRD2CAMK2DTDP1MEN1GAA
SCHEMBL26111115 0.86 DRD2 (0.41) DRD2TDP1ALDH1A1GFERMEN1
SCHEMBL31612833 0.81 DRD2 (0.41) DRD2SUV39H2MEN1KMT2A
SCHEMBL19224563 0.80 TNF (0.36) CAMK2DFPR3FPR2
SCHEMBL22759403 0.79 FPR3 (0.34) DRD2FPR3FPR2
SCHEMBL4610689 0.79 FPR2 (0.38) ALDH1A1GAAFPR2
SCHEMBL31082278 0.78 DRD2 (0.39) DRD2CAMK2DTDP1SUV39H2ALDH1A1
SCHEMBL4897978 0.77 DRD2 (0.45) DRD2CAMK2DTDP1ALDH1A1GFER
SCHEMBL20562649 0.77 KDM4E (0.38) ALDH1A1
SCHEMBL15230862 0.77 SMN1; SMN2 (0.37) ALDH1A1GAA

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-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed