SCHEMBL15520746

SCHEMBL15520746

C[C@H]1CCCCN1Cc1ccc2[nH]c(-c3cc(NC(=O)Oc4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SCD O00767 3/20 0.35
SCD5 Q86SK9 3/20 0.35
RPS6KA3 P51812 1/20 0.35
RPS6KA2 Q15349 2/20 0.34
HPGD P15428 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL15520202 1.00 CHEK1 (0.38) CHEK1POLBKDM4EMEN1KMT2A
SCHEMBL15520771 0.92 CHEK1 (0.36) CHEK1RPS6KA3RPS6KA2KDR
SCHEMBL15520721 0.89 CHEK1 (0.43) CHEK1KDR
SCHEMBL949116 0.89 RPS6KA2 (0.45) CHEK1SCDSCD5RPS6KA3RPS6KA2
SCHEMBL949345 0.89 RPS6KA2 (0.45) CHEK1SCDSCD5RPS6KA3RPS6KA2
SCHEMBL15520299 0.89 CHEK1 (0.48) CHEK1
SCHEMBL15520312 0.87 CHEK1 (0.50) CHEK1KDR
SCHEMBL15520361 0.86 CHEK1 (0.38) CHEK1SCDSCD5RPS6KA2
SCHEMBL15520680 0.81 KDR (0.38) CHEK1KDM4EMEN1KMT2ASCD
SCHEMBL15520814 0.81 KDR (0.39) CHEK1KDM4EMEN1KMT2ASCD

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