SCHEMBL1704599

SCHEMBL1704599

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cccc(N)n3)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
MAP4K4 O95819 1/20 0.49
LRRK2 Q5S007 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
ADORA2A P29274 2/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
ACHE P22303 2/20 0.45
USP30 Q70CQ3 1/20 0.44
KIT P10721 2/20 0.44
ADORA1 P30542 1/20 0.44
PTPN11 Q06124 1/20 0.43
WNT3A P56704 1/20 0.43
RET P07949 1/20 0.43
PIK3CA P42336 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL1704884 0.86 KARS1 (0.50) CKS1BSKP1SKP2MAP4K4LRRK2
SCHEMBL902015 0.85 ITGB2 (0.46) CKS1BSKP1SKP2MAP4K4PIK3CA
SCHEMBL902759 0.84 ADORA2A (0.60) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL901638 0.84 PRKD3 (0.43)
SCHEMBL1580206 0.82 CKS1B (0.52) CKS1BSKP1SKP2MAP4K4LRRK2
SCHEMBL3443191 0.82 CKS1B (0.64) CKS1BSKP1SKP2MAP4K4LRRK2
SCHEMBL901697 0.81 KARS1 (0.65) CKS1BSKP1SKP2
SCHEMBL458906 0.81 MAP4K4 (0.60) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL1704340 0.81 KARS1 (0.64) CKS1BSKP1SKP2GPR119
SCHEMBL30998101 0.80 MAP4K4 (0.56) CKS1BSKP1SKP2MAP4K4LRRK2

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