SCHEMBL4408630

SCHEMBL4408630

CCCC1CC(=O)N(Cn2c(-c3cccnc3)nc3cc(C#N)ccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.52
CYP11B1 P15538 8/20 0.45
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.37
CYP17A1 P05093 1/20 0.36
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
AR P10275 1/20 0.35
NOS2 P35228 1/20 0.34
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4410334 0.90 CYP11B2 (0.38) CYP11B2CYP11B1PTGER4JAK2JAK1
SCHEMBL2957615 0.86 CYP11B2 (0.45) CYP11B2CYP11B1MEN1KMT2ANOS2
SCHEMBL1666145 0.81 S1PR1 (0.38) CYP11B2PTGER4
SCHEMBL664094 0.81 PTGER4 (0.34) CYP11B2CYP11B1PTGER4JAK2JAK1
SCHEMBL661430 0.81 CNR2 (0.40)
SCHEMBL662370 0.80 PTGER4 (0.32) CYP11B2CYP11B1PTGER4
SCHEMBL661470 0.80 RORC (0.39) MAPTJAK2JAK1TYK2JAK3
SCHEMBL663298 0.79 TLR7 (0.39)
SCHEMBL27673238 0.79 CNR2 (0.42) CYP11B2NOS2
SCHEMBL4408059 0.79 P2RX3 (0.40) MEN1KMT2AJAK2JAK1TYK2

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-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed