SCHEMBL20155220

SCHEMBL20155220

CC(CNc1ccccc1-c1cnc(Nc2ccc(C#N)nc2)nc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.54

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
SCHEMBL20154994 0.85 CHEK1 (0.60) CHEK1
SCHEMBL20154917 0.81 CHEK1 (0.63) CHEK1
SCHEMBL22617554 0.75 CHEK1 (0.55) CHEK1
SCHEMBL21299965 0.73 ROCK2 (0.44) CHEK1
SCHEMBL21299958 0.72 CHEK1 (0.56) CHEK1
SCHEMBL20154920 0.69 CHEK1 (0.69) CHEK1
SCHEMBL20154886 0.69 CHEK1 (0.70) CHEK1
SCHEMBL21299912 0.68 TYRO3 (0.46) CHEK1
SCHEMBL24158266 0.65 CHEK1 (0.64) CHEK1
SCHEMBL20155271 0.65 CHEK1 (0.66) CHEK1

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
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 WO disclosed