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SCHEMBL1704341

SCHEMBL1704341

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(-c4ccccc4)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.55
▸ CKS1B P61024 2/20 0.51
▸ SKP1 P63208 2/20 0.51
▸ SKP2 Q13309 2/20 0.51
▸ SYK P43405 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ KIT P10721 1/20 0.44

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
SCHEMBL901508 0.90 KARS1 (0.56) KARS1CKS1BSKP1SKP2SYK
SCHEMBL901333 0.89 KARS1 (0.65) KARS1CKS1BSKP1SKP2SYK
SCHEMBL1704340 0.89 KARS1 (0.64) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL902995 0.89 KARS1 (0.67) KARS1CKS1BSKP1SKP2SYK
SCHEMBL1704453 0.89 KARS1 (0.52) KARS1CKS1BSKP1SKP2SYK
SCHEMBL1704732 0.89 KARS1 (0.52) KARS1CKS1BSKP1SKP2SYK
SCHEMBL1704251 0.89 KARS1 (0.73) KARS1CKS1BSKP1SKP2SYK
SCHEMBL902003 0.88 KARS1 (0.61) KARS1
SCHEMBL1704262 0.88 KARS1 (0.51) KARS1SYKGPR119ACHE
SCHEMBL1705215 0.88 KARS1 (0.62) KARS1CKS1BSKP1SKP2SYK

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed