SCHEMBL24610300

SCHEMBL24610300

CC(C)NC(=O)CCOc1ccc(-c2nnc(Nc3ccc(N)c(C=N)c3)[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ ACACA Q13085 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ CHEK2 O96017 2/20 0.32
▸ ACACB O00763 2/20 0.32
▸ AVPR1B P47901 1/20 0.32
▸ HDAC3 O15379 4/20 0.31
▸ HDAC4 P56524 4/20 0.31
▸ HDAC1 Q13547 4/20 0.31
▸ HDAC7 Q8WUI4 4/20 0.31
▸ HDAC2 Q92769 4/20 0.31
▸ HDAC10 Q969S8 4/20 0.31
▸ HDAC11 Q96DB2 4/20 0.31
▸ HDAC8 Q9BY41 4/20 0.31
▸ HDAC6 Q9UBN7 4/20 0.31
▸ HDAC9 Q9UKV0 4/20 0.31
▸ HDAC5 Q9UQL6 4/20 0.31

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
SCHEMBL24094286 0.85 IKBKE (0.36) JAK2SYKACACASMN1; SMN2CHEK2
SCHEMBL24610309 0.84 IKBKE (0.39) JAK2SYKACACACHEK2ACACB
SCHEMBL24094128 0.83 PLG (0.34) CHEK2
SCHEMBL24094174 0.83 ROCK1 (0.46) SMN1; SMN2ROCK1
SCHEMBL24610274 0.82 HTR1D (0.32) —
SCHEMBL24094162 0.82 CTDSP1 (0.39) SMN1; SMN2CHEK2
SCHEMBL22967237 0.81 CYP1A2 (0.43) SMN1; SMN2
SCHEMBL24094185 0.81 ROCK1 (0.33) SMN1; SMN2ROCK1
SCHEMBL22967056 0.79 ADORA2A (0.39) SMN1; SMN2ROCK1
SCHEMBL22967060 0.79 ADORA2A (0.41) SMN1; SMN2

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-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
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