SCHEMBL30902201

SCHEMBL30902201

CC(C)(C)OC(=O)N1CC2(CCN(c3ncnc4ccc(Cl)nc34)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.48
CYP11B2 P19099 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KIT P10721 2/20 0.41
ACACB O00763 3/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
SCD5 Q86SK9 1/20 0.39
JAK3 P52333 1/20 0.39
GPR183 P32249 1/20 0.38
KIF18A Q8NI77 1/20 0.37
RET P07949 1/20 0.37
GBA1 P04062 1/20 0.37
POLB P06746 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
SCHEMBL31029618 1.00 MAP4K4 (0.48) MAP4K4CYP11B2MEN1KMT2ACNR1
SCHEMBL31029670 0.87 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL30902260 0.87 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL30902102 0.79 HTT (0.52) MAP4K4CYP11B2KITSCD5JAK3
SCHEMBL31029554 0.79 HTT (0.52) MAP4K4CYP11B2KITSCD5JAK3
SCHEMBL31029707 0.78 JAK1 (0.46) MAP4K4MEN1KMT2AJAK3
SCHEMBL30902198 0.78 JAK1 (0.46) MAP4K4MEN1KMT2AJAK3
SCHEMBL30902192 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31029643 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31727752 0.77 CYP11B2 (0.49) CYP11B2MEN1KMT2AACACBEIF2AK4

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
CN-117957219-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-04-30 CN disclosed