SCHEMBL11963541

SCHEMBL11963541

Cc1nc(I)cc(N2CCN(C(=O)O)C[C@@H]2C)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.37
▸ GRM1 Q13255 2/20 0.36
▸ SLC6A7 Q99884 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ SMO Q99835 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ USP2 O75604 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
SCHEMBL11963066 0.85 ADAMTS5 (0.45) GFERGRM1SLC6A7SMN1; SMN2GSK3B
SCHEMBL21796983 0.78 GBA1 (0.42) LMNA
SCHEMBL27167140 0.73 ADAMTS5 (0.44) GFERGRM1SLC6A7MMP2ADAMTS5
SCHEMBL15103173 0.73 CHRM1 (0.39) GFERGRM1SLC6A7SMN1; SMN2SMO
SCHEMBL29849609 0.72 PARP1 (0.38) GRM1SLC6A7SMN1; SMN2MMP2ADAMTS5
SCHEMBL11963519 0.72 MAP3K12 (0.38) SLC6A7
SCHEMBL23297711 0.71 ATR (0.44) —
SCHEMBL20424199 0.71 ATR (0.44) —
SCHEMBL23297813 0.71 ATR (0.44) —
SCHEMBL25385150 0.70 GAA (0.44) GFERGRM1SLC6A7SMN1; SMN2MMP2

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-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 — — EP disclosed
Send feedback