SCHEMBL13606626

SCHEMBL13606626

N#Cc1cc2c3c(c(Br)ccc3c1)C(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTPN11 Q06124 1/20 0.38
▸ CHEK1 O14757 4/20 0.34
▸ WEE1 P30291 2/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GRM5 P41594 3/20 0.33
▸ STK10 O94804 3/20 0.33
▸ SLK Q9H2G2 3/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TTR P02766 1/20 0.32

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
SCHEMBL13606635 0.76 NPSR1 (0.55) NPSR1PTPN11CHEK1WEE1GRM5
SCHEMBL13606638 0.74 NPSR1 (0.54) NPSR1CHEK1WEE1STK10SLK
SCHEMBL13606628 0.73 CHEK1 (0.34) CHEK1WEE1PARP1
SCHEMBL3852142 0.72 PARP1 (0.63) NPSR1CHEK1WEE1CCNE2CDK4
SCHEMBL13606633 0.70 NPSR1 (0.52) NPSR1CHEK1WEE1STK10SLK
SCHEMBL13606492 0.70 GSK3B (0.38) NPSR1CHEK1WEE1GSK3B
SCHEMBL13606486 0.69 GSK3B (0.37) NPSR1CHEK1WEE1GSK3B
SCHEMBL19143852 0.69 GSK3B (0.47) NPSR1CHEK1WEE1CCNE2CDK4
SCHEMBL13606629 0.68 NPSR1 (0.52) NPSR1CHEK1WEE1STK10SLK
SCHEMBL7943857 0.67 STK10 (0.41) CHEK1WEE1CDK4CCND1CDK2

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-2009144205-A1 RYLENE-BASED SEMICONDUCTOR MATERIALS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2009-12-03 — — WO disclosed
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