Sugi Predict

Sugi Predict / Compounds / SCHEMBL902682

SCHEMBL902682

SCHEMBL902682

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(NC(=O)c4ccccc4C(=O)O)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.62
▸ PTPN11 Q06124 1/20 0.46
▸ CKS1B P61024 2/20 0.42
▸ SKP1 P63208 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ WNT3A P56704 1/20 0.39

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
SCHEMBL1704251 0.92 KARS1 (0.73) KARS1PTPN11CKS1BSKP1SKP2
SCHEMBL902626 0.90 KARS1 (0.73) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL902673 0.90 KARS1 (0.65) KARS1PTPN11CKS1BSKP1SKP2
SCHEMBL1705215 0.89 KARS1 (0.62) KARS1CKS1BSKP1SKP2GPR119
SCHEMBL1705003 0.89 KARS1 (0.65) KARS1GPR119SYKWNT3A
SCHEMBL1705312 0.89 KARS1 (0.73) KARS1GPR119SYK
SCHEMBL1704600 0.88 KARS1 (0.73) KARS1GPR119SYKWNT3A
SCHEMBL901382 0.88 KARS1 (0.75) KARS1GPR119SYKWNT3A
SCHEMBL1704267 0.87 KARS1 (0.63) KARS1GPR119SYK
SCHEMBL902995 0.87 KARS1 (0.67) KARS1CKS1BSKP1SKP2GPR119

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 — — WO disclosed