SCHEMBL22923554

SCHEMBL22923554

O=C(c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1)N1C2=CCC1CNCC2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 20/20 0.52
KCNH2 Q12809 4/20 0.51

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
SCHEMBL20186369 0.83 CAMK2D (0.55) CAMK2DKCNH2
SCHEMBL20202115 0.83 CAMK2D (0.55) CAMK2DKCNH2
SCHEMBL20186748 0.80 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20186746 0.80 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20225308 0.78 CAMK2D (0.64) CAMK2DKCNH2
SCHEMBL20186241 0.78 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20186296 0.77 CAMK2D (0.69) CAMK2DKCNH2
SCHEMBL20186512 0.76 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20202111 0.76 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20186461 0.76 CAMK2D (0.68) CAMK2DKCNH2

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-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed