SCHEMBL20225501

SCHEMBL20225501

CCC(CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC2)c1)N(CC)CC

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 20/20 0.76
KCNH2 Q12809 4/20 0.69

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
SCHEMBL20225624 0.95 CAMK2D (0.72) CAMK2DKCNH2
SCHEMBL20206947 0.95 CAMK2D (0.72) CAMK2DKCNH2
SCHEMBL22923513 0.95 CAMK2D (0.75) CAMK2DKCNH2
SCHEMBL20186423 0.92 CAMK2D (0.89) CAMK2DKCNH2
SCHEMBL20186425 0.92 CAMK2D (0.89) CAMK2DKCNH2
SCHEMBL20225406 0.91 CAMK2D (0.89) CAMK2DKCNH2
SCHEMBL20207131 0.90 CAMK2D (0.88) CAMK2DKCNH2
SCHEMBL20207133 0.89 CAMK2D (0.69) CAMK2DKCNH2
SCHEMBL20225525 0.88 CAMK2D (0.72) CAMK2DKCNH2
SCHEMBL20186018 0.87 CAMK2D (0.67) 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 2 patents. 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
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed