SCHEMBL6057789

SCHEMBL6057789

Cc1cc(C)c(NC(=O)c2cccc3n[c]sc23)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PTGER4 P35408 2/20 0.44
MAPK8 P45983 1/20 0.43
LCK P06239 9/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6057742 0.80 POLB (0.45) POLBPTGER4MAPK8LCKLMNA
SCHEMBL6057807 0.79 LCK (0.54) LCK
SCHEMBL6057945 0.74 LCK (0.56) LCK
SCHEMBL6058429 0.73 LCK (0.61) LCK
SCHEMBL7176198 0.73 POLB (0.54) POLBPTGER4MAPK8LCKLMNA
SCHEMBL7631673 0.73 LCK (0.46) PTGER4LCKLMNATP53RXFP1
SCHEMBL7826823 0.72 POLB (0.76) POLBPTGER4MAPK8LCKLMNA
SCHEMBL6058008 0.68 LCK (0.56) LCKLMNATP53
SCHEMBL6057754 0.68 MEN1 (0.53) POLBLCKLMNAMEN1KMT2A
SCHEMBL1894942 0.68 CYP1A2 (0.32)

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-1037632-B1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-01-11 EP claimed