SCHEMBL30565889

SCHEMBL30565889

O=C(OCc1ccccc1)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(Cl)nccn12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.42
ADAM10 O14672 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 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
SCHEMBL30565868 0.90 BTK (0.42) BTKADAM10MMP2MMP3MMP9
SCHEMBL30565888 0.90 BTK (0.51) BTK
SCHEMBL29593305 0.85 PTGDR2 (0.41) PTGDR2POLB
SCHEMBL14651433 0.83 TEC (0.47) BTKPTGDR2
SCHEMBL21783734 0.83 TEC (0.47) BTKPTGDR2
SCHEMBL30565885 0.83 ADAM10 (0.41) BTKADAM10MMP2MMP3MMP9
SCHEMBL20411768 0.83 TEC (0.45) BTKPTGDR2
SCHEMBL21461728 0.81 BTK (0.41) BTKPOLB
SCHEMBL30565860 0.81 BTK (0.51) BTK
SCHEMBL21050956 0.79 JAK2 (0.42) OPRD1OPRK1POLB

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-112209934-B BTK inhibitors containing azaspiroheptane 正大天晴药业集团股份有限公司 2023-09-08 CN disclosed