SCHEMBL15520299

SCHEMBL15520299

O=C(Nc1c[nH]c(=O)c(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c1)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.48
CDK7 P50613 1/20 0.40

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
SCHEMBL15520312 0.92 CHEK1 (0.50) CHEK1
SCHEMBL15520721 0.92 CHEK1 (0.43) CHEK1
SCHEMBL15520202 0.89 CHEK1 (0.38) CHEK1
SCHEMBL15520746 0.89 CHEK1 (0.38) CHEK1
SCHEMBL15520361 0.89 CHEK1 (0.38) CHEK1
SCHEMBL950529 0.88 CHEK1 (0.51) CHEK1CDK7
SCHEMBL15520771 0.88 CHEK1 (0.36) CHEK1
SCHEMBL15520814 0.88 KDR (0.39) CHEK1
SCHEMBL949819 0.87 CHEK1 (0.49) CHEK1CDK7
SCHEMBL15520680 0.87 KDR (0.38) 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
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 EP claimed