SCHEMBL6015246

SCHEMBL6015246

NC(=O)Nc1nc(-c2ccccc2)sc1C(=O)O.NC(=O)[C@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP2D6 P10635 1/20 0.46
CDK2AP1 O14519 2/20 0.46
KCNH2 Q12809 2/20 0.42
MELK Q14680 3/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
JAK2 O60674 1/20 0.42
ULK1 O75385 1/20 0.42
RPS6KA4 O75676 1/20 0.42
STK10 O94804 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL6015280 0.86 CHEK1 (0.48) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL1564680 0.82 CHEK1 (0.67) CHEK1CDK2AP1KCNH2MELKPLK4
SCHEMBL5551093 0.82 SMN1; SMN2 (0.58) KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL6015247 0.79 KDM4E (0.48) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015267 0.78 KMT2A (0.47) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015302 0.77 CHEK1 (0.49) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015254 0.77 CHEK1 (0.42) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015282 0.77 KDM4E (0.46) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015274 0.77 KMT2A (0.44) CHEK1KDM4EMAPTKMT2AATM
SCHEMBL6015244 0.76 KDM4E (0.44) CHEK1KDM4EMAPTKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO disclosed