SCHEMBL12643245

SCHEMBL12643245

COc1cc(CN(C)Cc2ccco2)ccc1NC(=O)Nc1cnc(C)cn1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.57
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL2037337 0.87 CHEK1 (0.70) CHEK1
SCHEMBL3310546 0.86 CHEK1 (0.66) CHEK1LMNAALDH1A1
SCHEMBL2035771 0.84 CHEK1 (0.65) CHEK1
SCHEMBL13415864 0.79 CHEK1 (0.68) CHEK1
SCHEMBL2033792 0.78 CHEK1 (0.67) CHEK1
SCHEMBL2036210 0.78 CHEK1 (0.67) CHEK1
SCHEMBL2031750 0.77 CHEK1 (0.69) CHEK1
SCHEMBL12184174 0.76 CHEK1 (0.85) CHEK1
SCHEMBL2036128 0.76 CHEK1 (0.73) CHEK1
SCHEMBL3320551 0.75 CHEK1 (0.67) CHEK1ALDH1A1

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-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP disclosed