SCHEMBL9049074

SCHEMBL9049074

COc1c(Cl)ncnc1N1CCC(N)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.54
HRH4 Q9H3N8 4/20 0.47
DOT1L Q8TEK3 1/20 0.42
HTT P42858 1/20 0.41
AKT2 P31751 4/20 0.41
MAP4K1 Q92918 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KIT P10721 1/20 0.40
GSK3B P49841 1/20 0.40
PDE10A Q9Y233 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAT2A P31153 1/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL9047655 0.85 AKT1 (0.51) AKT1HRH4DOT1LAKT2LRRK2
SCHEMBL9047322 0.77 KIT (0.48) AKT1HRH4HTTKITPDE10A
SCHEMBL26646946 0.77 PDE1B (0.40) HTTLRRK2PDE10APDE3BPDE3A
SCHEMBL30068291 0.77 PDE1B (0.40) HTTLRRK2PDE10APDE3BPDE3A
SCHEMBL9048311 0.75 AKT1 (0.47) AKT1HRH4DOT1LAKT2LRRK2
SCHEMBL29243325 0.75 KMT2A (0.46) HTTLRRK2
SCHEMBL29243323 0.75 KMT2A (0.46) HTTLRRK2
SCHEMBL26647188 0.75 KMT2A (0.46) HTTLRRK2
SCHEMBL30068001 0.75 KMT2A (0.46) HTTLRRK2
SCHEMBL14275566 0.74 AKT1 (0.52) AKT1HRH4DOT1LAKT2MAP4K1

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-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed