SCHEMBL24380910

SCHEMBL24380910

C=CC(=O)N1CCCC(Nc2ncnc(N)c2C(=N)c2ccc(-c3noc(-c4ccccc4)n3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.61
EGFR P00533 3/20 0.56
JAK3 P52333 12/20 0.47
JAK1 P23458 1/20 0.47
ITK Q08881 1/20 0.45

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
SCHEMBL24380783 0.90 BTK (0.59) BTKEGFRJAK3JAK1
SCHEMBL18877721 0.84 BTK (0.86) BTKEGFRJAK3JAK1ITK
SCHEMBL14228143 0.84 BTK (0.86) BTKEGFRJAK3JAK1ITK
SCHEMBL19097822 0.81 BTK (0.71) BTKEGFRJAK3JAK1
SCHEMBL21386777 0.79 BTK (0.75) BTKEGFRJAK3JAK1
SCHEMBL17816357 0.79 BTK (0.77) BTKEGFRITK
SCHEMBL21386748 0.79 BTK (0.74) BTKEGFRJAK3JAK1ITK
SCHEMBL18518588 0.79 BTK (0.60) BTKEGFRJAK3JAK1
SCHEMBL18618516 0.78 BTK (0.67) BTKEGFRJAK3JAK1
SCHEMBL23735023 0.78 BTK (0.61) BTKEGFRJAK3JAK1

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
EP-3643716-B1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY SHANGHAI DUDE MEDICAL TECH CO LTD (CN) 2022-05-04 EP disclosed