SCHEMBL18307149

SCHEMBL18307149

CN1C[C@@H]2C[C@H]1CN2c1ccc(I)cn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.64
KCNH2 Q12809 13/20 0.64

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
SCHEMBL15743901 0.83 CHRNA7 (0.66) CHRNA7KCNH2
SCHEMBL21262667 0.82 CHRNA7 (0.64) CHRNA7KCNH2
SCHEMBL13657926 0.79 CHRNA7 (0.61) CHRNA7KCNH2
SCHEMBL13662093 0.79 CHRNA7 (0.61) CHRNA7KCNH2
SCHEMBL20492047 0.77 MAP3K12 (0.47) CHRNA7KCNH2
SCHEMBL20491966 0.77 MAP3K12 (0.47) CHRNA7KCNH2
SCHEMBL24681527 0.76 CDK4 (0.47) CHRNA7KCNH2
SCHEMBL15832593 0.75 CHRNA7 (0.56) CHRNA7KCNH2
SCHEMBL2944370 0.75 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL15832590 0.75 CHRNA7 (0.56) CHRNA7KCNH2

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-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed