SCHEMBL25060367

SCHEMBL25060367

COCCOc1ccc(Nc2ncc(F)c(N3CNc4ccc([N+](=O)[O-])cc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.44
▸ ITK Q08881 5/20 0.44
▸ BTK Q06187 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ LYN P07948 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND2 P30279 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIK3CA P42336 1/20 0.39

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
SCHEMBL19624639 0.88 EGFR (0.46) EGFRITKBTKJAK2LYN
SCHEMBL19624634 0.86 EGFR (0.48) EGFRITKBTKJAK2LYN
SCHEMBL19624412 0.83 EGFR (0.63) EGFRITKBTKJAK2LYN
SCHEMBL17242449 0.82 EGFR (0.43) EGFRITKBTKJAK2LYN
SCHEMBL19544866 0.79 EGFR (0.44) EGFRITKBTKJAK2LYN
SCHEMBL19544869 0.79 EGFR (0.43) EGFRITKBTKJAK2LYN
SCHEMBL29729053 0.77 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL22909361 0.77 SYK (0.61) EGFRITKBTKJAK2LYN
SCHEMBL29729047 0.74 SYK (0.68) EGFRITKBTKJAK2LYN
SCHEMBL23409145 0.74 SYK (0.68) EGFRITKBTKJAK2LYN

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-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
Send feedback