SCHEMBL1704646

SCHEMBL1704646

COC(=O)[C@H]1CC[C@H](Nc2cc(Cl)nc(-c3ccnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
LRRK2 Q5S007 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.40
WNT3A P56704 1/20 0.40
LMNA P02545 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
TBK1 Q9UHD2 2/20 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
SCHEMBL902930 0.92 FLT3 (0.46) GPR119LRRK2ALDH1A1NPC1MAPT
SCHEMBL1704917 0.89 LMNA (0.43) LMNA
SCHEMBL1704536 0.87 LMNA (0.45) GPR119LRRK2WNT3ALMNACKS1B
SCHEMBL1704775 0.85 KARS1 (0.57) GPR119SYK
SCHEMBL902996 0.80 CKS1B (0.46) GPR119LRRK2WNT3ACKS1BSKP1
SCHEMBL1705038 0.79 CCNT1 (0.41) LRRK2MAPK1SYKFLT3TBK1
SCHEMBL902022 0.78 KARS1 (0.57) GPR119SYK
SCHEMBL902991 0.78 KARS1 (0.67) GPR119SYK
SCHEMBL902904 0.77 KARS1 (0.57) GPR119SYKFLT3TYRO3MERTK
SCHEMBL901781 0.76 LMNA (0.48) MAPTL3MBTL1LMNA

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