SCHEMBL5065235

SCHEMBL5065235

O=C(NCC(F)(F)F)c1cncc(-c2cnc(Nc3cc(N4CCC(CS)CC4)ccn3)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.78
CDK7 P50613 9/20 0.78

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
SCHEMBL4292235 0.92 CHEK1 (0.85) CHEK1CDK7
SCHEMBL4289319 0.92 CHEK1 (0.83) CHEK1CDK7
SCHEMBL4289821 0.91 CHEK1 (0.76) CHEK1CDK7
SCHEMBL4297857 0.90 CHEK1 (0.75) CHEK1CDK7
SCHEMBL4296368 0.89 CHEK1 (0.85) CHEK1CDK7
SCHEMBL4290285 0.88 CHEK1 (1.00) CHEK1CDK7
SCHEMBL4289875 0.87 CHEK1 (0.83) CHEK1CDK7
SCHEMBL4298034 0.87 CHEK1 (0.81) CHEK1CDK7
SCHEMBL4298040 0.87 CHEK1 (0.81) CHEK1CDK7
SCHEMBL4297854 0.87 CHEK1 (0.79) CHEK1CDK7

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-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 WO disclosed