SCHEMBL901378

SCHEMBL901378

COC(=O)C1CCN(c2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 6/20 0.52
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PDK2 Q15119 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NEK2 P51955 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4509698 0.80 LMNA (0.73) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25262380 0.79 MAPT (0.66) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13722871 0.78 NOTUM (0.62) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24156124 0.76 ADORA2A (0.39) LMNAPDE3BPDE3A
SCHEMBL25194853 0.76 LMNA (0.65) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4098087 0.76 MEN1 (0.66) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL31038214 0.76 LMNA (0.65) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25153864 0.76 LMNA (0.51) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5759922 0.76 MAPT (0.62) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL22807107 0.76 SMN1; SMN2 (0.55) LMNAMEN1KMT2ASMN1; SMN2MAPT

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