SCHEMBL28707674

SCHEMBL28707674

O=Cc1cc(Cl)cc(Nc2ccncn2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 14/20 0.45
▸ MKNK2 Q9HBH9 6/20 0.41
▸ EGFR P00533 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ ERBB2 P04626 1/20 0.37
▸ MPL P40238 3/20 0.37

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
SCHEMBL21925684 0.79 MKNK1 (0.48) MKNK1MKNK2MPL
Formic Acid SCHEMBL28707655 0.76 HTR3E (0.51) MKNK1EGFRJAK2JAK1TYK2
SCHEMBL28708935 0.76 HTR3E (0.42) EGFR
SCHEMBL3949696 0.74 HTR3E (0.59) MKNK1EGFRJAK2JAK1TYK2
SCHEMBL18786647 0.69 MKNK1 (0.46) MKNK1MKNK2EGFRJAK2JAK1
SCHEMBL3241851 0.69 TEK (0.40) EGFR
SCHEMBL14843891 0.69 MKNK1 (0.49) MKNK1MKNK2JAK2JAK1TYK2
SCHEMBL4630887 0.68 GSK3A (0.53) MKNK1MKNK2JAK2JAK1TYK2
SCHEMBL16916919 0.67 JAK2 (0.52) MKNK1MKNK2EGFRJAK2JAK1
SCHEMBL18786850 0.67 MKNK1 (0.66) MKNK1MKNK2JAK2JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044774-B EGFR inhibitor and preparation method and application thereof 光武惠文生物科技(北京)有限公司 2024-04-09 — — CN disclosed
CN-114044774-A EGFR inhibitor and preparation method and application thereof 北京超维知药科技有限公司 2022-02-15 — — CN disclosed
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