SCHEMBL20399080

SCHEMBL20399080

Nc1ncnc2sc3c(c12)CC[C@H](C(=O)O)C3

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 13/20 0.81
CSNK2A2 P19784 3/20 0.48
CSNK2B P67870 3/20 0.48
CSNK2A1 P68400 3/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15534294 0.86 LIMK1 (0.60) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16370982 0.85 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15534269 0.85 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16385041 0.85 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16741326 0.85 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL20419781 0.83 LIMK1 (1.00) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL14625798 0.75 LIMK1 (0.71) LIMK1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL16384794 0.74 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL16741476 0.74 LIMK1 (0.59) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL15115882 0.74 LIMK1 (0.50) LIMK1CSNK2A2CSNK2BCSNK2A1ALDH1A1

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
WO-2018134335-A1 SUBSTITUTED IMIDAZOPYRIDINPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 WO disclosed