SCHEMBL1704536

SCHEMBL1704536

COC(=O)C1CCN(c2cc(Cl)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALK Q9UM73 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.40
TBK1 Q9UHD2 1/20 0.40
WNT3A P56704 1/20 0.40
ALOX5 P09917 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
SCHEMBL901781 0.89 LMNA (0.48) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1704646 0.87 GPR119 (0.42) LMNAGPR119LRRK2CKS1BSKP1
SCHEMBL1704616 0.85 KARS1 (0.53) GPR119LRRK2KDM4E
SCHEMBL902996 0.82 CKS1B (0.46) GPR119LRRK2CKS1BSKP1SKP2
SCHEMBL902930 0.80 FLT3 (0.46) GPR119LRRK2CKS1BSKP1SKP2
SCHEMBL1705093 0.76 KARS1 (0.53) GPR119LRRK2TBK1
SCHEMBL1704917 0.76 LMNA (0.43) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18031540 0.75 SCN9A (0.56) LMNASMN1; SMN2CKS1BSKP1SKP2
SCHEMBL902991 0.74 KARS1 (0.67) GPR119MEN1KMT2AKDM4E
SCHEMBL1704775 0.74 KARS1 (0.57) GPR119KDM4E

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