SCHEMBL27953704

SCHEMBL27953704

[CH2]Cn1nc(N2CCCCC2)c2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ PIK3CD O00329 5/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIK3C2B O00750 2/20 0.38
▸ YES1 P07947 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ RET P07949 1/20 0.36

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
SCHEMBL28808532 0.99 LRRK2 (0.42) LRRK2PIK3CGPIK3CDSIGMAR1MAP4K4
SCHEMBL28406676 0.73 ADK (0.50) PIK3CGPIK3CDMAP4K4SRCRET
SCHEMBL682467 0.66 PIK3CD (0.56) PIK3CGPIK3CDMAP4K4PIK3C2BSRC
SCHEMBL13717458 0.66 JAK3 (0.45) LRRK2MAP4K4ALDH1A1LMNA
SCHEMBL681842 0.65 PIK3CG (0.67) PIK3CGPIK3CDPIK3C2BALDH1A1
SCHEMBL20145916 0.64 RPS6KB1 (0.47) MAP4K4ALDH1A1LMNAPKM
SCHEMBL4389982 0.64 ALDH1A1 (0.57) MAP4K4ALDH1A1LMNAPKM
SCHEMBL1441357 0.64 JAK3 (0.44) LRRK2MAP4K4ALDH1A1LMNA
SCHEMBL9159049 0.62 HTT (0.61) LRRK2ALDH1A1LMNAPKM
SCHEMBL23917258 0.62 JAK3 (0.53) —

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
CN-103702989-A Novel compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA 2014-04-02 — — CN claimed
CN-103702989-A Novel compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA 2014-04-02 — — CN disclosed
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