SCHEMBL4070561

SCHEMBL4070561

NC(=O)Nc1sc(-c2ccc(CCN3CCCCC3)cc2)cc1C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.80
IKBKB O14920 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
JAK2 O60674 2/20 0.57
EIF2AK2 P19525 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
JAK3 P52333 1/20 0.56

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
SCHEMBL1926828 0.89 CHEK1 (1.00) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928372 0.88 CHEK1 (0.98) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928651 0.87 CHEK1 (0.62) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL4087784 0.84 CHEK1 (1.00) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1929078 0.81 CHEK1 (0.70) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1929524 0.80 CHEK1 (1.00) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928486 0.79 CHEK1 (0.68) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1926780 0.79 CHEK1 (0.81) CHEK1IKBKBMEN1KMT2AKDM4E
SCHEMBL1928060 0.79 CHEK1 (0.80) CHEK1IKBKBMEN1KMT2AJAK2
SCHEMBL6998354 0.78 KDM4E (0.80) CHEK1IKBKBMEN1KMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012166722-A1 TREATING COLORECTAL, PANCREATIC, AND LUNG CANCER THE GENERAL HOSPITAL CORPORATION (US) 2012-12-06 WO claimed
WO-2012166722-A1 TREATING COLORECTAL, PANCREATIC, AND LUNG CANCER THE GENERAL HOSPITAL CORPORATION (US) 2012-12-06 WO disclosed
EP-2041303-A2 METHODS FOR CANCER TREATMENT USING TAK1 INHIBITORS Astra Zeneca AB (SE) 2009-04-01 EP disclosed
WO-2008007072-A2 METHODS FOR CANCER TREATMENT USING TAK1 INHIBITORS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed