SCHEMBL26393501

SCHEMBL26393501

O=CNc1n[nH]c2ccc(-c3ccc(Cl)cc3Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ FADS1 O60427 4/20 0.43
▸ MARS1 P56192 1/20 0.41
▸ GSK3B P49841 5/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ SGK1 O00141 1/20 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
SCHEMBL26393411 0.88 GSK3B (0.45) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26393370 0.88 GSK3B (0.53) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL26393638 0.86 TRPA1 (0.43) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26393947 0.86 JAK2 (0.61) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26393914 0.85 FADS1 (0.42) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26394024 0.81 GSK3B (0.44) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26393862 0.81 GSK3B (0.45) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL26396626 0.80 HDAC6 (0.48) JAK2JAK1TYK2JAK3FADS1
SCHEMBL26397024 0.79 LRRK2 (0.41) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL26393980 0.76 GSK3B (0.57) JAK2GSK3BHDAC6

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
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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