SCHEMBL26395039

SCHEMBL26395039

CNc1n[nH]c2ccc(-c3cc(C(N)=O)ccc3Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.47
▸ MAP2K4 P45985 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.46
▸ MAPKAPK3 Q16644 1/20 0.46
▸ MAPK6 Q16659 1/20 0.46
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ PAK1 Q13153 2/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ GSK3B P49841 6/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ AAK1 Q2M2I8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41

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
SCHEMBL26393486 0.82 HDAC6 (0.50) HDAC6PAK1JAK2JAK1TYK2
SCHEMBL26394382 0.81 MAP2K4 (0.59) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL26395050 0.80 AAK1 (0.55) HDAC6GSK3BAAK1
SCHEMBL26394340 0.79 GSK3B (0.47) HDAC6MAP2K4MAPKAPK5PAK1JAK2
SCHEMBL26394420 0.78 JAK2 (0.66) HDAC6MAPK1MAPKAPK5PAK1JAK2
SCHEMBL26393770 0.78 PRKAA1 (0.47) HDAC6MAPKAPK5PAK1JAK2JAK1
SCHEMBL26396309 0.77 LRRK2 (0.45) HDAC6PAK1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL31243602 0.77 ULK1 (0.52) HDAC6GSK3BAAK1
SCHEMBL26393744 0.76 MAP2K4 (0.46) HDAC6MAP2K4MAPKAPK5PAK1JAK2
SCHEMBL26393597 0.76 DYRK1A (0.47) HDAC6MAPKAPK5JAK2TYK2JAK3

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
Send feedback