SCHEMBL8145442

SCHEMBL8145442

Cc1nc2c(Br)csc2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
PARP1 P09874 7/20 0.42
PDPK1 O15530 1/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TNKS2 Q9H2K2 2/20 0.40
TNKS O95271 1/20 0.40
CSNK2A1 P68400 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GPR35 Q9HC97 2/20 0.37
HTT P42858 1/20 0.36
TYMS P04818 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL16152584 0.80 PDPK1 (0.38) PIM1PIM2PARP1PDPK1TNKS2
SCHEMBL29722920 0.75 TMIGD3 (0.39) PIM1PARP1PDPK1CDC7DBF4
SCHEMBL25223161 0.74 TNKS (0.52) PARP1CDC7DBF4KDM4ETNKS2
SCHEMBL19242505 0.69 PARP1 (0.41) PARP1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL25222218 0.69 PIM1 (0.50) PIM1CDC7DBF4CSNK2A1CDK2
SCHEMBL2232829 0.68 PDPK1 (0.66) PIM1PIM2PARP1PDPK1CDC7
SCHEMBL10083069 0.68 MAPK1 (0.53) PIM1PIM2PARP1CDC7DBF4
SCHEMBL14343373 0.68 CDC7 (0.57) PIM1PIM2PARP1CDC7DBF4
SCHEMBL19815743 0.68 PARP1 (0.51) PARP1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL6931033 0.68 PARP1 (0.70) PARP1KDM4ECYP1A2CYP2D6CYP2C9

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-0982992-A1 FUNGICIDES AgrEvo UK Limited (GB) 2000-03-08 EP disclosed
WO-1998049899-A1 FUNGICIDES AGREVO UK LIMITED (GB) 1998-11-12 WO disclosed