SCHEMBL8914933

SCHEMBL8914933

CCc1ncnc(NC2CCC(C(=O)O)CC2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.47
CD38 P28907 2/20 0.42
PDE7A Q13946 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.38

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
SCHEMBL8746770 1.00 BTK (0.47) BTKCD38PDE7AIRAK4
SCHEMBL8746756 0.90 BTK (0.41) BTKCD38IRAK4
SCHEMBL8746781 0.88 BTK (0.46) BTKPDE7AIRAK4
SCHEMBL8746780 0.88 BTK (0.46) BTKPDE7AIRAK4
Bicarbonate SCHEMBL8746772 0.86 KDM4E (0.43)
SCHEMBL8488267 0.85 KMT2A (0.41) BTK
SCHEMBL8488266 0.85 KMT2A (0.41) BTK
SCHEMBL8483787 0.85 BTK (0.37) BTKIRAK4
SCHEMBL8766684 0.85 BTK (0.37) BTKIRAK4
SCHEMBL8486785 0.84 BTK (0.42) BTKCD38IRAK4

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
US-5691321-A INSECTICIDES, MITICIDES, PARASITICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-11-25 US disclosed