SCHEMBL27720694

SCHEMBL27720694

O=C(C1NCc2c(Cl)ccc(-c3cc4cc(CN5CCN(c6ccncc6)CC5)ccc4[nH]3)c21)C1NCc2c(Cl)ccc(-c3cc4cc(CN5CCN(c6ccncc6)CC5)ccc4[nH]3)c21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.40
SLC2A1 P11166 1/20 0.39
CDK7 P50613 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL27700337 0.87 DRD2 (0.43) CHEK1
SCHEMBL27720686 0.86 CHEK1 (0.41) CHEK1CDK7
SCHEMBL27720913 0.85 CHEK1 (0.43) CHEK1CDK7
SCHEMBL27720682 0.85 CHEK1 (0.40) CHEK1CDK7
SCHEMBL27720722 0.83 CHEK1 (0.41) CHEK1CDK7
SCHEMBL28768685 0.83 CHEK1 (0.41) CHEK1CDK7
SCHEMBL5133376 0.81 CHEK1 (0.44) CHEK1SLC2A1
SCHEMBL28768698 0.78 SUCNR1 (0.39) CHEK1CDK7
SCHEMBL27700340 0.78 ATR (0.36) SLC2A1HDAC6
SCHEMBL28943657 0.77 CHEK1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed