Sugi Predict

Sugi Predict / Compounds / SCHEMBL30289644

SCHEMBL30289644

SCHEMBL30289644

Nc1nccc2c(C3CCN(C(=O)C4(O)CC4)CC3)nc(-c3ccc(Oc4ccccc4)cc3)n12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.47
▸ TNK2 Q07912 5/20 0.39
▸ EGFR P00533 3/20 0.38
▸ TEC P42680 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ BMX P51813 2/20 0.37
▸ ITK Q08881 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ FASN P49327 1/20 0.36
▸ TRPC6 Q9Y210 1/20 0.36

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
SCHEMBL30289617 0.92 BTK (0.40) BTKTNK2EGFRTECPOLB
SCHEMBL30289626 0.91 BTK (0.43) BTKTNK2POLBNPSR1
SCHEMBL30289648 0.87 TNK2 (0.45) BTKTNK2EGFRTECPOLB
SCHEMBL30289587 0.85 BTK (0.48) BTKTNK2POLBNPSR1
SCHEMBL30289599 0.85 BTK (0.48) BTKTNK2POLBNPSR1
SCHEMBL30289682 0.84 TNK2 (0.43) TNK2
SCHEMBL30289800 0.83 TNK2 (0.38) BTKTNK2POLBNPSR1
SCHEMBL30289721 0.83 BTK (0.40) BTKTNK2POLBNPSR1
SCHEMBL30289731 0.81 TNK2 (0.39) TNK2POLBNPSR1
SCHEMBL30289697 0.80 TNK2 (0.49) BTKTNK2

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 — — CN disclosed