SCHEMBL1563495

SCHEMBL1563495

NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 1.00
▸ CDK2AP1 O14519 5/20 0.75

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
SCHEMBL1564902 0.93 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1563697 0.90 CHEK1 (0.95) CHEK1CDK2AP1
SCHEMBL1564261 0.90 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1562933 0.89 CHEK1 (0.81) CHEK1CDK2AP1
SCHEMBL4206482 0.89 CHEK1 (0.81) CHEK1CDK2AP1
SCHEMBL1563141 0.89 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL1563656 0.88 CHEK1 (0.83) CHEK1CDK2AP1
SCHEMBL1563339 0.88 CHEK1 (0.84) CHEK1CDK2AP1
SCHEMBL1562863 0.87 CHEK1 (0.94) CHEK1CDK2AP1
SCHEMBL1563593 0.86 CHEK1 (0.82) CHEK1CDK2AP1

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-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
Send feedback